data_1hdl_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 1hdl _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.69 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 61.2 m-85 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.147 0.499 . . . . 0.0 110.18 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.477 ' O ' ' CG ' ' A' ' 15' ' ' MET . 38.3 tt0 -46.46 -45.54 18.3 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.116 -0.99 . . . . 0.0 109.213 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.89 -18.83 36.64 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.3 -0.875 . . . . 0.0 109.753 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.584 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 15.3 m-30 -87.34 12.04 12.95 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 0.0 110.469 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.538 ' O ' ' CG ' ' A' ' 15' ' ' MET . 7.9 ptt? -98.83 117.95 34.48 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.049 -1.032 . . . . 0.0 110.625 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 17.8 tptm -98.88 85.95 3.39 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.186 -0.946 . . . . 0.0 109.853 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 77.1 m-20 59.39 52.13 6.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.483 -0.76 . . . . 0.0 110.593 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.66 -8.8 78.21 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -99.55 111.61 23.93 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.096 -1.238 . . . . 0.0 110.405 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -95.61 103.56 15.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.175 -0.953 . . . . 0.0 110.138 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.584 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 8.3 p90 -90.73 65.36 5.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.201 -0.937 . . . . 0.0 110.017 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.604 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -50.98 -46.92 87.98 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.448 -0.783 . . . . 0.0 111.48 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.2 Cg_exo -63.82 84.45 0.14 Allowed 'Trans proline' 0 C--N 1.314 -1.258 0 O-C-N 123.19 1.1 . . . . 0.0 110.716 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.523 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 18.0 tt0 -121.7 -83.94 0.66 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.333 -0.854 . . . . 0.0 110.068 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.583 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 10.7 t0 -126.61 70.95 1.27 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.314 -0.866 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 28' ' ' PHE . 58.1 mttt -65.0 -7.03 10.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.202 -0.937 . . . . 0.0 110.77 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.427 ' HD2' ' OD1' ' A' ' 25' ' ' ASP . 85.0 mttt -41.83 -27.25 0.11 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.126 -0.983 . . . . 0.0 110.107 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 20.5 m-85 -53.59 -19.49 3.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.253 -0.904 . . . . 0.0 109.867 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CD1' HD12 ' A' ' 35' ' ' ILE . 19.4 t80 -46.93 -24.17 0.56 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.343 -0.848 . . . . 0.0 110.078 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.76 -5.0 18.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.381 -0.824 . . . . 0.0 110.46 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.7 m -130.08 165.12 22.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.127 -0.983 . . . . 0.0 110.222 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 tt -64.58 -50.76 65.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.252 -0.905 . . . . 0.0 110.154 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -55.2 -39.59 69.79 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.367 -0.833 . . . . 0.0 109.118 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.464 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.04 -48.75 45.44 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 108.241 -1.944 . . . . 0.0 108.241 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.577 HD12 ' CD1' ' A' ' 29' ' ' PHE . 4.0 mm -55.06 -35.38 34.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.297 -1.119 . . . . 0.0 109.037 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.477 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 26.6 mmm -74.06 -65.13 0.88 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.44 -0.787 . . . . 0.0 109.996 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -46.06 -50.53 15.06 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.123 -0.986 . . . . 0.0 108.844 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.615 ' CG1' ' CE1' ' A' ' 37' ' ' PHE . 6.8 mt -51.44 -39.43 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.115 -0.99 . . . . 0.0 109.477 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 98.3 m-20 -67.2 -35.91 80.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -0.86 . . . . 0.0 109.237 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -83.63 -14.56 51.67 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.53 -0.731 . . . . 0.0 109.433 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 8.1 t -65.26 -71.61 0.18 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.425 -0.797 . . . . 0.0 109.645 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.32 -30.33 4.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.522 -0.736 . . . . 0.0 109.823 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 46' ' ' MET . 91.9 m -80.05 -53.57 6.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.298 -0.876 . . . . 0.0 109.654 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.463 ' O ' HD21 ' A' ' 48' ' ' LEU . 12.8 t -52.19 -26.12 10.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.277 -0.889 . . . . 0.0 109.878 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 28.7 tttt -67.74 -48.3 66.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.332 -0.855 . . . . 0.0 110.061 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.546 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -63.68 -22.65 67.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.247 -0.908 . . . . 0.0 109.901 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.546 ' N ' ' HG3' ' A' ' 46' ' ' MET . 34.8 mm -60.19 -38.13 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.378 -0.826 . . . . 0.0 109.552 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.5 mm? . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.381 -0.824 . . . . 0.0 109.864 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 41' ' ' CYS . 39.5 m-85 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.114 0.483 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' A' ' 15' ' ' MET . 7.9 tt0 -46.57 -26.18 0.84 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.028 -1.045 . . . . 0.0 109.783 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.84 -22.39 59.79 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.248 -0.908 . . . . 0.0 109.767 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.588 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 13.5 m-85 -90.32 17.81 6.79 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.303 -0.873 . . . . 0.0 110.278 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.542 ' O ' ' CG ' ' A' ' 15' ' ' MET . 21.3 ptm -98.95 118.22 35.24 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.096 -1.002 . . . . 0.0 110.562 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 10.9 tttt -96.89 85.46 3.78 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.193 -0.942 . . . . 0.0 109.9 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 75.4 m-20 59.04 53.97 5.24 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.405 -0.809 . . . . 0.0 110.658 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.46 -16.29 58.1 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.515 ' HD3' ' N ' ' A' ' 20' ' ' LEU . 1.7 tmtp? -92.73 129.64 38.59 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.097 -1.237 . . . . 0.0 110.094 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.515 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 1.2 tt -109.01 110.18 21.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.136 -0.977 . . . . 0.0 110.379 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.588 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 11.0 p90 -96.9 63.53 1.96 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.234 -0.916 . . . . 0.0 109.861 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.61 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.6 OUTLIER -51.53 -45.89 90.73 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.482 -0.761 . . . . 0.0 111.548 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.0 Cg_exo -65.3 79.09 0.23 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.171 1.09 . . . . 0.0 111.201 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 22' ' ' CYS . 5.5 pt20 -122.19 -112.96 0.32 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.129 -0.982 . . . . 0.0 109.461 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 20.0 t70 -93.29 69.3 4.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.869 -1.145 . . . . 0.0 109.73 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 28' ' ' PHE . 15.6 mtpt -68.0 -3.71 10.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.275 -0.891 . . . . 0.0 110.839 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LYS . 58.6 mttp -42.69 -26.34 0.12 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.161 -0.962 . . . . 0.0 110.236 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 24.7 m-85 -46.35 -23.86 0.41 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.254 -0.904 . . . . 0.0 110.316 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.518 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 18.2 t80 -42.5 -25.0 0.07 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.211 -0.93 . . . . 0.0 110.78 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' PHE . 20.3 pt20 -72.14 0.13 10.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.176 -0.953 . . . . 0.0 110.738 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -137.06 158.83 43.56 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.1 -1.0 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.69 -52.04 66.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 110.181 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -53.51 -35.65 60.89 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.288 -0.882 . . . . 0.0 109.11 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.472 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -70.84 -52.08 16.5 Favored Glycine 0 N--CA 1.486 2.015 0 N-CA-C 108.292 -1.923 . . . . 0.0 108.292 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.503 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 3.7 mm -53.63 -31.45 19.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 O-C-N 121.206 -1.173 . . . . 0.0 108.986 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.458 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 7.3 mmt -74.37 -66.51 0.72 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.361 -0.837 . . . . 0.0 110.025 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.622 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.65 -49.71 14.12 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.029 -1.044 . . . . 0.0 108.994 179.777 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.622 ' CG1' ' CE1' ' A' ' 37' ' ' PHE . 9.3 mt -51.91 -37.57 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.072 -1.018 . . . . 0.0 109.554 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 98.8 m-20 -70.15 -37.76 75.33 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.347 -0.846 . . . . 0.0 109.684 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.458 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 39.9 mttt -83.51 -17.87 40.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.516 -0.74 . . . . 0.0 109.398 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.573 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 42.8 t -50.14 -68.07 0.2 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.497 -0.752 . . . . 0.0 110.157 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.75 74.56 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.453 -0.779 . . . . 0.0 110.388 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 46' ' ' MET . 98.4 m -69.36 -37.66 77.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.237 -0.915 . . . . 0.0 110.071 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 40' ' ' LYS . 97.7 m -76.69 -29.68 56.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.265 -0.897 . . . . 0.0 109.728 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 31.3 tttt -62.81 -44.26 96.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.331 -0.855 . . . . 0.0 109.939 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.525 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -63.9 -25.17 68.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.278 -0.888 . . . . 0.0 109.89 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.514 ' N ' ' HG3' ' A' ' 46' ' ' MET . 20.7 mm -57.16 -42.38 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.385 -0.822 . . . . 0.0 109.768 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? . . . . . 0 N--CA 1.489 1.505 0 O-C-N 121.311 -0.868 . . . . 0.0 109.944 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.583 ' CE2' ' HA ' ' A' ' 41' ' ' CYS . 59.9 m-85 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.15 0.5 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 15' ' ' MET . 61.0 tt0 -46.45 -39.48 10.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.146 -0.971 . . . . 0.0 109.453 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.52 -20.25 64.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.396 -0.815 . . . . 0.0 109.762 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.583 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 7.1 m-30 -92.6 17.62 9.91 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.337 -0.852 . . . . 0.0 110.46 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.551 ' O ' ' CG ' ' A' ' 15' ' ' MET . 21.2 ptm -99.05 115.9 30.05 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.012 -1.055 . . . . 0.0 110.794 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -95.98 87.62 4.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.193 -0.942 . . . . 0.0 109.782 179.584 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 76.2 m-20 58.4 51.88 7.77 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.89 . . . . 0.0 110.285 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.13 -11.56 66.99 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.49 ' C ' ' CD ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -95.71 111.25 23.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.022 -1.281 . . . . 0.0 110.297 -179.83 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 tt -93.27 114.77 27.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.098 -1.001 . . . . 0.0 110.227 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.583 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 7.4 p90 -99.11 69.27 1.72 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.141 -0.974 . . . . 0.0 110.04 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.586 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -48.75 -48.89 69.12 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.517 -0.74 . . . . 0.0 111.45 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.4 Cg_exo -61.99 83.12 0.1 OUTLIER 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.247 1.13 . . . . 0.0 110.784 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.496 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 13.1 tt0 -126.56 -77.11 0.58 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.455 -0.778 . . . . 0.0 109.867 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.586 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 29.8 t0 -136.28 76.91 1.63 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.364 -0.835 . . . . 0.0 110.041 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.584 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 30.8 mtpt -68.84 -2.71 10.2 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.199 -0.938 . . . . 0.0 110.826 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 26' ' ' LYS . 71.4 mttt -41.69 -27.98 0.13 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.151 -0.968 . . . . 0.0 110.188 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 22.9 m-85 -48.77 -21.57 0.65 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.412 -0.805 . . . . 0.0 110.381 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CD2' HD12 ' A' ' 35' ' ' ILE . 9.7 t80 -53.02 -18.17 1.87 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.224 -0.922 . . . . 0.0 110.498 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -68.74 -4.34 15.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.15 -0.969 . . . . 0.0 110.877 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 35' ' ' ILE . 34.5 m -144.45 160.69 40.66 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.024 -1.048 . . . . 0.0 110.557 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.78 -59.83 4.76 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.276 -0.89 . . . . 0.0 109.851 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -50.95 -37.43 44.37 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.567 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.75 -39.6 54.97 Favored Glycine 0 N--CA 1.483 1.801 0 N-CA-C 108.161 -1.976 . . . . 0.0 108.161 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.578 HD12 ' CD2' ' A' ' 29' ' ' PHE . 2.0 mm -59.64 -36.3 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.496 -1.002 . . . . 0.0 109.601 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' PHE . 33.8 mmt -54.07 -55.75 24.53 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.321 -0.862 . . . . 0.0 110.349 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.632 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.86 -52.72 6.58 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.174 -0.953 . . . . 0.0 109.727 -179.758 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.632 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 7.6 mt -51.24 -36.89 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.806 -1.184 . . . . 0.0 109.85 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.02 -31.69 69.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 109.857 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 44' ' ' CYS . 53.5 mttt -95.49 -15.09 23.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.321 -0.862 . . . . 0.0 109.869 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.583 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 17.9 t -54.33 -71.8 0.07 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.405 -0.809 . . . . 0.0 110.165 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -61.91 -34.0 75.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.417 -0.802 . . . . 0.0 110.158 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.522 ' O ' ' CG ' ' A' ' 46' ' ' MET . 34.2 m -67.55 -58.29 4.96 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.222 -0.923 . . . . 0.0 109.932 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.461 ' HA ' HG13 ' A' ' 47' ' ' ILE . 42.0 t -52.38 -27.71 16.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.189 -0.944 . . . . 0.0 109.926 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 44.0 tttt -64.71 -49.05 72.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.156 -0.965 . . . . 0.0 109.936 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.553 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -64.06 -23.33 67.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.265 -0.897 . . . . 0.0 109.97 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.553 ' N ' ' HG3' ' A' ' 46' ' ' MET . 48.7 mm -57.35 -39.96 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.248 -0.908 . . . . 0.0 109.628 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.346 -0.846 . . . . 0.0 109.678 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 41' ' ' CYS . 44.0 m-85 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.131 0.491 . . . . 0.0 110.148 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.456 ' O ' ' HG3' ' A' ' 15' ' ' MET . 12.7 tt0 -47.44 -39.78 16.44 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.103 -0.998 . . . . 0.0 109.681 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.02 -16.79 62.43 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.298 -0.877 . . . . 0.0 109.646 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.586 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 18.1 m-30 -86.43 14.12 7.21 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.387 -0.82 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 85.9 mtp -88.96 102.98 15.61 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.229 -0.919 . . . . 0.0 110.455 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' O ' ' HB3' ' A' ' 19' ' ' LYS . 38.9 ttmt -98.5 103.84 15.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.472 -0.768 . . . . 0.0 110.075 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 57.83 56.02 5.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 0.0 110.043 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.81 24.33 69.8 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 1.3 tmtp? -129.31 108.85 10.63 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.313 -1.11 . . . . 0.0 110.251 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.491 ' C ' ' CD2' ' A' ' 20' ' ' LEU . 1.2 tt -83.54 105.83 14.79 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.255 -0.903 . . . . 0.0 110.082 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.586 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 26.6 p90 -91.46 71.88 6.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.019 -1.051 . . . . 0.0 109.982 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.582 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -49.66 -47.39 78.9 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.396 -0.815 . . . . 0.0 111.457 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.4 Cg_exo -62.35 73.86 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.185 0 O-C-N 123.094 1.05 . . . . 0.0 110.837 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 22' ' ' CYS . 10.6 tt0 -101.18 -52.72 3.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.415 -0.803 . . . . 0.0 109.722 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 53.6 t0 -165.03 64.67 0.13 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.474 -0.767 . . . . 0.0 109.861 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' PHE . 92.2 mttt -55.16 -15.04 1.94 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.368 -0.833 . . . . 0.0 110.899 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 96.8 mttt -41.32 -26.75 0.06 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.219 -0.925 . . . . 0.0 110.396 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 14.9 m-85 -53.61 -18.46 2.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 0.0 110.202 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.576 ' CG ' HD12 ' A' ' 35' ' ' ILE . 15.4 t80 -41.89 -26.24 0.08 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.28 -0.888 . . . . 0.0 110.444 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' PHE . 25.4 pt20 -66.97 -5.8 14.24 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.293 -0.879 . . . . 0.0 110.726 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.7 m -132.33 153.26 50.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.061 -1.025 . . . . 0.0 110.402 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.7 tt -53.28 -45.66 68.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.129 -0.982 . . . . 0.0 110.027 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -57.38 -39.75 76.73 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.344 -0.847 . . . . 0.0 109.133 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.483 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -70.21 -48.04 41.11 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 108.179 -1.968 . . . . 0.0 108.179 178.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.576 HD12 ' CG ' ' A' ' 29' ' ' PHE . 5.1 mm -56.08 -33.88 37.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 121.358 -1.083 . . . . 0.0 109.299 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.455 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 4.7 mtp -72.52 -64.17 1.01 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.389 -0.82 . . . . 0.0 110.008 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.645 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -50.05 -49.37 51.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.053 -1.029 . . . . 0.0 109.073 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.645 ' CG1' ' CE1' ' A' ' 37' ' ' PHE . 6.9 mt -53.65 -35.35 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.049 -1.032 . . . . 0.0 109.487 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 92.5 m-20 -72.51 -38.93 67.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.469 -0.769 . . . . 0.0 109.916 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 44' ' ' CYS . 24.4 tttt -82.79 -22.18 34.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.498 -0.751 . . . . 0.0 109.76 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 8.5 t -54.66 -72.44 0.06 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.382 -0.824 . . . . 0.0 109.941 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.06 -31.04 17.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 0.0 109.918 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 46' ' ' MET . 95.1 m -80.1 -22.53 42.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.502 -0.749 . . . . 0.0 109.817 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.52 ' N ' ' O ' ' A' ' 40' ' ' LYS . 13.4 t -81.62 -42.35 20.15 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.311 -0.868 . . . . 0.0 109.543 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -54.53 -40.23 68.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.407 -0.808 . . . . 0.0 109.634 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.539 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -65.01 -23.63 67.27 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.205 -0.934 . . . . 0.0 109.858 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.539 ' N ' ' HG3' ' A' ' 46' ' ' MET . 27.3 mm -61.35 -37.28 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.35 -0.844 . . . . 0.0 109.562 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.415 -0.803 . . . . 0.0 109.679 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' A' ' 41' ' ' CYS . 42.5 m-85 . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.204 0.525 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.514 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 52.0 tt0 -46.41 -43.95 16.81 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.27 -0.894 . . . . 0.0 109.336 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.87 -20.7 38.53 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.348 -0.845 . . . . 0.0 109.537 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.593 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 9.3 m-30 -90.55 18.05 6.75 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.289 -0.882 . . . . 0.0 110.168 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.535 ' O ' ' CG ' ' A' ' 15' ' ' MET . 8.1 ptt? -100.09 118.39 36.35 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.202 -0.936 . . . . 0.0 110.496 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 16.8 tppt? -96.56 81.25 3.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.172 -0.955 . . . . 0.0 109.956 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 11.4 t-20 66.88 52.9 0.88 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 110.048 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.57 -16.56 44.64 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -93.17 104.07 16.29 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.17 -1.194 . . . . 0.0 110.398 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 15' ' ' MET . 2.2 tt -81.95 113.67 20.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.295 -0.878 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.593 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 7.5 p90 -97.71 70.31 2.19 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.219 -0.926 . . . . 0.0 109.971 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.584 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -48.7 -49.01 68.32 Favored Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.437 -0.789 . . . . 0.0 111.266 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.43 82.69 0.1 Allowed 'Trans proline' 0 C--N 1.314 -1.268 0 O-C-N 123.311 1.163 . . . . 0.0 110.791 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.479 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 11.6 tt0 -125.63 -76.48 0.59 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.506 -0.746 . . . . 0.0 109.741 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.573 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 19.8 t0 -136.03 78.21 1.7 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.4 -0.813 . . . . 0.0 109.887 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 35.8 mttt -68.94 -2.58 10.11 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.27 -0.894 . . . . 0.0 110.76 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LYS . 71.7 mttt -41.33 -27.23 0.08 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.171 -0.956 . . . . 0.0 110.322 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 25.7 m-85 -48.49 -21.33 0.54 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.312 -0.868 . . . . 0.0 110.533 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.646 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 9.3 t80 -55.86 -16.47 4.62 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.216 -0.927 . . . . 0.0 110.392 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -61.89 -11.0 10.79 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.207 -0.933 . . . . 0.0 110.975 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' ILE . 8.4 p -147.32 165.7 29.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.01 -1.056 . . . . 0.0 110.744 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.41 -54.93 33.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.436 -0.79 . . . . 0.0 110.172 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -54.7 -39.1 67.81 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.282 -0.886 . . . . 0.0 108.991 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.549 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -73.87 -35.45 54.37 Favored Glycine 0 N--CA 1.484 1.893 0 N-CA-C 108.184 -1.966 . . . . 0.0 108.184 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.646 ' CD1' ' CD2' ' A' ' 29' ' ' PHE . 1.1 mm -64.01 -36.58 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.567 -0.961 . . . . 0.0 109.582 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.8 mtp -49.83 -52.4 32.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.271 -0.893 . . . . 0.0 110.489 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.635 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.72 -49.52 14.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.194 -0.941 . . . . 0.0 109.731 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.635 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 16.5 mt -50.1 -38.38 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.95 -1.094 . . . . 0.0 109.825 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -72.86 -26.11 61.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.384 -0.822 . . . . 0.0 109.66 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 44' ' ' CYS . 46.7 mttt -96.91 -12.22 23.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.492 -0.755 . . . . 0.0 109.763 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.584 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 8.7 t -60.61 -73.48 0.09 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.28 -0.888 . . . . 0.0 109.881 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -55.67 -32.06 62.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.473 -0.767 . . . . 0.0 110.026 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.54 ' O ' ' CG ' ' A' ' 46' ' ' MET . 18.7 m -72.82 -56.64 4.93 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 0.0 109.721 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.484 ' SG ' ' CD1' ' A' ' 11' ' ' PHE . 50.4 m -49.51 -23.89 1.81 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.104 -0.998 . . . . 0.0 109.645 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 38.5 tttt -69.59 -51.52 34.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.461 -0.774 . . . . 0.0 110.08 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -59.19 -26.08 64.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.097 -1.002 . . . . 0.0 109.712 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.539 ' N ' ' HG3' ' A' ' 46' ' ' MET . 24.0 mm -57.75 -38.86 67.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.362 -0.836 . . . . 0.0 109.459 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.6 mm? . . . . . 0 N--CA 1.489 1.525 0 O-C-N 121.339 -0.85 . . . . 0.0 109.519 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 41' ' ' CYS . 44.3 m-85 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.183 0.516 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.454 ' O ' ' HE1' ' A' ' 15' ' ' MET . 41.4 tt0 -46.28 -25.67 0.67 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.174 -0.954 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.94 -20.39 45.76 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.898 . . . . 0.0 110.248 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.593 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 6.8 m-30 -88.01 18.74 4.01 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.194 -0.941 . . . . 0.0 110.079 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.454 ' HE1' ' O ' ' A' ' 12' ' ' GLN . 41.3 mtm -82.07 144.31 30.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.4 -0.812 . . . . 0.0 110.36 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 19' ' ' LYS . 4.0 tttt -127.52 90.99 3.21 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.394 -0.816 . . . . 0.0 109.722 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 79.5 m-20 56.04 49.87 14.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.351 -0.843 . . . . 0.0 109.727 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.77 10.43 85.14 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 16' ' ' LYS . 7.7 tmtt? -121.86 106.84 11.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.257 -1.143 . . . . 0.0 110.35 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.524 ' CD2' ' HA ' ' A' ' 45' ' ' LYS . 11.9 tp -86.61 117.03 25.11 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.345 -0.847 . . . . 0.0 110.032 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.593 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 8.7 p90 -95.57 85.23 4.13 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.072 -1.018 . . . . 0.0 110.067 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.7 OUTLIER -52.16 -46.37 93.66 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.382 -0.824 . . . . 0.0 111.368 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.05 83.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 122.933 0.965 . . . . 0.0 110.875 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.503 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 15.8 tt0 -112.38 -79.61 0.58 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.337 -0.852 . . . . 0.0 110.038 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.584 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 50.6 t0 -144.63 66.21 1.27 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.29 -0.881 . . . . 0.0 109.963 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' PHE . 35.9 mtpt -56.53 -14.17 2.92 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.258 -0.901 . . . . 0.0 110.904 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 96.8 mttt -41.79 -26.45 0.08 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.122 -0.986 . . . . 0.0 110.429 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 18.0 m-85 -55.55 -16.69 4.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.212 -0.93 . . . . 0.0 110.321 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.574 ' CD2' HD12 ' A' ' 35' ' ' ILE . 6.1 t80 -41.89 -26.49 0.09 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.151 -0.968 . . . . 0.0 110.365 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' PHE . 23.1 pt20 -66.63 -5.41 11.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.35 -0.844 . . . . 0.0 110.716 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.9 p -132.43 153.95 50.33 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.057 -1.027 . . . . 0.0 110.042 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tt -52.1 -50.44 61.63 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.16 -0.962 . . . . 0.0 110.096 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -53.86 -37.29 63.52 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.365 -0.835 . . . . 0.0 109.11 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.476 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -70.8 -49.97 26.64 Favored Glycine 0 N--CA 1.484 1.875 0 N-CA-C 108.253 -1.939 . . . . 0.0 108.253 179.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.574 HD12 ' CD2' ' A' ' 29' ' ' PHE . 1.6 mm -55.24 -32.98 29.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.313 -1.11 . . . . 0.0 109.233 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.469 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 30.6 mmm -78.21 -64.16 1.23 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.867 . . . . 0.0 110.079 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.98 -49.57 15.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.093 -1.004 . . . . 0.0 109.157 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.61 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 6.6 mt -51.28 -38.66 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.082 -1.011 . . . . 0.0 109.533 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 72.7 m-20 -70.26 -34.52 72.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.364 -0.835 . . . . 0.0 109.856 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HA ' ' HB ' ' A' ' 43' ' ' THR . 31.9 mtpt -82.07 -20.01 39.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.487 -0.758 . . . . 0.0 110.141 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.57 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 2.7 t -48.53 -64.75 0.71 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.241 -0.912 . . . . 0.0 110.022 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.46 -32.37 73.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 0.0 110.098 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.529 ' O ' ' CG ' ' A' ' 46' ' ' MET . 29.3 m -65.9 -58.4 5.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.263 -0.898 . . . . 0.0 110.163 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.464 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 74.0 m -55.6 -34.65 65.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.128 -0.982 . . . . 0.0 110.147 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.524 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 30.4 tttt -58.51 -51.19 70.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.294 -0.879 . . . . 0.0 110.587 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.548 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -59.16 -23.7 62.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.149 -0.969 . . . . 0.0 110.365 -179.704 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.548 ' N ' ' HG3' ' A' ' 46' ' ' MET . 24.6 mm -60.03 -36.19 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.259 -0.901 . . . . 0.0 109.827 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.578 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.343 -0.848 . . . . 0.0 109.971 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.585 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 83.9 m-85 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.167 0.508 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 15' ' ' MET . 60.3 tt0 -45.51 -47.25 14.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.154 -0.966 . . . . 0.0 109.648 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.6 -18.83 22.04 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.307 -0.871 . . . . 0.0 109.772 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.605 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 5.7 m-30 -92.14 13.54 18.68 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.293 -0.879 . . . . 0.0 110.504 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.543 ' O ' ' CG ' ' A' ' 15' ' ' MET . 19.8 ptm -97.65 117.51 32.09 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.037 -1.039 . . . . 0.0 110.72 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 8.8 tttt -97.45 87.88 4.24 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.253 -0.904 . . . . 0.0 109.833 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 77.2 m-20 59.87 51.59 5.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.527 -0.733 . . . . 0.0 110.714 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.4 -15.84 60.35 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.501 ' C ' ' CD ' ' A' ' 19' ' ' LYS . 2.2 tmtm? -98.02 113.72 25.66 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.957 -1.319 . . . . 0.0 110.515 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 21' ' ' PHE . 2.2 tt -96.04 124.34 40.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.111 -0.993 . . . . 0.0 110.156 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 3.8 p90 -103.48 73.58 1.21 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.148 -0.97 . . . . 0.0 109.959 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.584 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -47.28 -49.72 51.45 Favored Pre-proline 0 N--CA 1.493 1.703 0 O-C-N 121.51 -0.744 . . . . 0.0 111.46 -179.806 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.4 Cg_exo -61.56 82.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.272 1.143 . . . . 0.0 110.822 -179.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.493 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 11.4 tt0 -126.02 -78.35 0.59 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.465 -0.772 . . . . 0.0 109.77 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.573 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 3.5 t70 -133.32 77.81 1.75 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.456 -0.777 . . . . 0.0 109.971 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 39.3 mttt -68.84 -2.21 9.0 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.357 -0.839 . . . . 0.0 110.851 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' LYS . 70.8 mmtt -41.79 -27.23 0.1 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.149 -0.969 . . . . 0.0 110.291 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 25.2 m-85 -50.15 -21.27 1.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.202 -0.936 . . . . 0.0 110.138 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 6.4 t80 -56.49 -16.46 5.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.277 -0.889 . . . . 0.0 110.11 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -66.15 -6.9 14.9 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.253 -0.904 . . . . 0.0 110.865 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.481 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 11.0 p -147.49 165.63 29.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.035 -1.04 . . . . 0.0 110.682 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tt -66.31 -55.15 17.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.349 -0.844 . . . . 0.0 110.068 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -56.03 -41.94 75.74 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.34 -0.85 . . . . 0.0 109.053 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.527 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.87 -32.75 60.71 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 108.255 -1.938 . . . . 0.0 108.255 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.585 HD13 ' CD2' ' A' ' 29' ' ' PHE . 1.4 mm -66.25 -36.97 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.537 -0.979 . . . . 0.0 109.52 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' PHE . 64.1 mmm -48.15 -50.99 26.85 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.308 -0.87 . . . . 0.0 110.189 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.22 -48.17 12.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.113 -0.992 . . . . 0.0 109.426 -179.826 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.638 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 18.3 mt -52.04 -42.92 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.934 -1.104 . . . . 0.0 109.714 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -66.49 -27.49 67.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.463 -0.773 . . . . 0.0 109.975 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 44' ' ' CYS . 40.9 ttmt -96.28 -21.32 17.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.315 -0.866 . . . . 0.0 110.215 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 37' ' ' PHE . 6.1 t -53.86 -75.61 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.174 -0.954 . . . . 0.0 110.086 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.465 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -57.63 -30.52 65.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.403 -0.811 . . . . 0.0 110.305 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.454 ' O ' HG21 ' A' ' 43' ' ' THR . 95.3 m -79.04 -17.64 54.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.218 -0.927 . . . . 0.0 110.133 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 40' ' ' LYS . 10.6 t -92.37 -52.76 4.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.261 -0.899 . . . . 0.0 110.076 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.522 ' HG3' ' N ' ' A' ' 46' ' ' MET . 0.4 OUTLIER -51.92 -24.64 6.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.144 -0.972 . . . . 0.0 109.761 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.543 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -78.32 -25.02 46.38 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.401 -0.812 . . . . 0.0 109.656 179.734 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.543 ' N ' ' HG3' ' A' ' 46' ' ' MET . 23.2 mm -63.85 -34.2 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.305 -0.872 . . . . 0.0 109.189 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.3 mt . . . . . 0 N--CA 1.488 1.459 0 O-C-N 121.438 -0.789 . . . . 0.0 109.448 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' A' ' 41' ' ' CYS . 45.1 m-85 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.123 0.487 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' A' ' 15' ' ' MET . 49.1 tt0 -47.73 -38.21 14.88 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.036 -1.04 . . . . 0.0 109.345 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.28 -19.82 64.92 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.34 -0.85 . . . . 0.0 109.589 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.588 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 11.2 m-30 -89.22 15.38 9.02 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.286 -0.884 . . . . 0.0 110.364 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.56 ' O ' ' CG ' ' A' ' 15' ' ' MET . 13.7 ptt? -98.99 112.1 24.31 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.072 -1.017 . . . . 0.0 110.579 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 8.8 tttt -91.85 90.43 7.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.165 -0.959 . . . . 0.0 109.866 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 78.3 m-20 57.98 52.67 7.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.328 -0.857 . . . . 0.0 110.349 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.51 -13.45 58.15 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 19' ' ' LYS . 3.4 tmtm? -95.63 106.54 18.65 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.095 -1.238 . . . . 0.0 110.388 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' A' ' 45' ' ' LYS . 1.3 tt -85.72 115.49 23.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.249 -0.907 . . . . 0.0 110.194 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.588 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 24.5 p90 -101.73 64.16 0.97 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.072 -1.017 . . . . 0.0 109.885 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.6 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -50.07 -47.11 82.09 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.336 -0.852 . . . . 0.0 111.401 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -65.19 84.27 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.363 0 O-C-N 123.186 1.098 . . . . 0.0 111.067 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 22' ' ' CYS . 0.8 OUTLIER -126.82 -26.32 3.22 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.208 -0.932 . . . . 0.0 110.266 179.575 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.574 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 66.7 t0 -179.97 55.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.876 . . . . 0.0 109.639 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' PHE . 41.6 mttt -56.39 -13.51 2.29 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.333 -0.854 . . . . 0.0 110.926 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 99.6 mttt -42.15 -26.22 0.09 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.087 -1.008 . . . . 0.0 110.223 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 13.3 m-85 -48.53 -21.8 0.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.255 -0.903 . . . . 0.0 110.271 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CE2' HD12 ' A' ' 35' ' ' ILE . 7.5 t80 -40.51 -26.31 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.297 -0.877 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' PHE . 18.4 pt20 -67.78 -4.55 12.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.096 -1.003 . . . . 0.0 110.694 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.4 t -133.09 148.47 52.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.008 -1.058 . . . . 0.0 110.342 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.9 tp -46.34 -52.13 13.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.268 -0.895 . . . . 0.0 110.105 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -52.19 -36.81 53.0 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.324 -0.86 . . . . 0.0 108.777 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.484 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -71.92 -51.2 15.54 Favored Glycine 0 N--CA 1.484 1.892 0 N-CA-C 108.078 -2.009 . . . . 0.0 108.078 178.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.566 HD12 ' CE2' ' A' ' 29' ' ' PHE . 1.6 mm -54.86 -32.15 25.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.243 -1.151 . . . . 0.0 108.915 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.467 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 19.3 mmm -78.98 -65.68 0.96 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.346 -0.846 . . . . 0.0 110.266 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.62 -47.42 14.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.074 -1.016 . . . . 0.0 109.18 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.634 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 6.2 mt -52.81 -39.74 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.948 -1.095 . . . . 0.0 109.417 178.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 89.6 m-20 -65.4 -41.02 94.08 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.406 -0.809 . . . . 0.0 109.624 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 44' ' ' CYS . 52.8 mttt -83.86 -13.79 52.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.527 -0.733 . . . . 0.0 109.495 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.585 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 44.4 t -58.51 -67.42 0.36 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.369 -0.832 . . . . 0.0 110.171 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.84 -30.95 71.99 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.414 -0.804 . . . . 0.0 110.339 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.531 ' O ' ' CG ' ' A' ' 46' ' ' MET . 99.3 m -74.28 -46.16 43.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.243 -0.911 . . . . 0.0 110.033 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 59.2 m -62.43 -24.07 67.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.21 -0.931 . . . . 0.0 109.776 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.438 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 23.2 tttt -69.13 -44.27 72.7 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -0.869 . . . . 0.0 110.14 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.538 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -63.12 -23.1 67.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.915 . . . . 0.0 110.095 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.538 ' N ' ' HG3' ' A' ' 46' ' ' MET . 19.3 mm -59.18 -41.48 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.341 -0.85 . . . . 0.0 109.788 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.344 -0.848 . . . . 0.0 109.883 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.682 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 66.1 m-85 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.085 0.469 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' A' ' 15' ' ' MET . 40.3 tt0 -46.33 -47.74 18.44 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.08 -1.013 . . . . 0.0 109.302 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.5 -18.22 17.64 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.298 -0.876 . . . . 0.0 109.661 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.588 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 9.2 m-30 -89.82 16.37 8.19 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.278 -0.889 . . . . 0.0 110.397 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.537 ' O ' ' CG ' ' A' ' 15' ' ' MET . 7.0 ptt? -101.27 115.06 29.63 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.197 -0.94 . . . . 0.0 110.387 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 19' ' ' LYS . 81.3 tttt -93.8 80.69 4.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 110.149 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.449 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 15.1 t-20 64.76 57.33 1.06 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.271 -0.893 . . . . 0.0 110.414 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.73 -11.0 60.63 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.696 -1.361 . . . . 0.0 109.696 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . 7.4 tmtm? -96.5 113.32 24.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.237 -1.155 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.485 ' C ' ' CD2' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -92.54 104.23 16.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.173 -0.955 . . . . 0.0 110.223 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.588 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 12.8 p90 -94.42 64.35 3.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.074 -1.016 . . . . 0.0 109.931 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -50.34 -47.25 83.46 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.416 -0.802 . . . . 0.0 111.538 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -61.58 82.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.315 -1.234 0 O-C-N 123.089 1.047 . . . . 0.0 110.705 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.517 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 20.3 tt0 -120.77 -86.13 0.65 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.43 -0.794 . . . . 0.0 109.845 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.586 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 9.3 t0 -127.6 76.34 1.67 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.338 -0.851 . . . . 0.0 109.952 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' PHE . 53.1 mttt -65.39 -5.21 6.95 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.182 -0.949 . . . . 0.0 110.893 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LYS . 62.7 mmtt -41.94 -26.51 0.09 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.114 -0.991 . . . . 0.0 110.4 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 42.6 m-85 -52.05 -19.64 2.0 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.118 -0.989 . . . . 0.0 110.027 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.576 ' CG ' HD12 ' A' ' 35' ' ' ILE . 7.7 t80 -49.39 -20.64 0.72 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.319 -0.863 . . . . 0.0 110.494 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -69.88 -2.31 11.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.17 -0.956 . . . . 0.0 110.717 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.0 m -136.31 158.17 45.06 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.051 -1.03 . . . . 0.0 110.377 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.39 -47.99 83.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.908 . . . . 0.0 110.005 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -56.68 -39.93 74.67 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.405 -0.809 . . . . 0.0 109.181 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.464 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.45 -46.23 56.77 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 108.253 -1.939 . . . . 0.0 108.253 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.576 HD12 ' CG ' ' A' ' 29' ' ' PHE . 3.6 mm -55.65 -36.72 43.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.354 -1.086 . . . . 0.0 109.113 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.469 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 7.0 mtt -70.18 -65.34 0.74 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.292 -0.88 . . . . 0.0 109.871 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.682 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -46.77 -52.03 14.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.181 -0.949 . . . . 0.0 108.841 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.583 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 11.4 mt -48.78 -38.75 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.168 -0.958 . . . . 0.0 109.333 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 88.3 m-20 -69.7 -34.55 74.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.351 -0.843 . . . . 0.0 109.123 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -81.08 -15.07 57.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.591 -0.693 . . . . 0.0 109.47 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 11.3 t -63.05 -69.73 0.25 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.449 -0.782 . . . . 0.0 109.764 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.2 -30.45 17.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.565 -0.709 . . . . 0.0 110.036 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.545 ' O ' ' CG ' ' A' ' 46' ' ' MET . 87.1 m -78.62 -53.79 6.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.266 -0.896 . . . . 0.0 109.619 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.474 ' O ' HD21 ' A' ' 48' ' ' LEU . 42.0 t -46.1 -33.9 3.82 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.244 -0.91 . . . . 0.0 109.524 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -60.74 -47.58 85.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.35 -0.844 . . . . 0.0 110.222 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.2 OUTLIER -61.24 -21.64 64.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.171 -0.955 . . . . 0.0 109.775 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.528 ' N ' ' HG3' ' A' ' 46' ' ' MET . 27.5 mm -69.4 -32.93 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.449 -0.782 . . . . 0.0 109.492 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.416 -0.802 . . . . 0.0 109.963 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' A' ' 41' ' ' CYS . 11.5 m-85 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.18 0.514 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 15' ' ' MET . 50.6 tt0 -44.62 -43.61 8.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.096 -1.003 . . . . 0.0 109.848 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.31 -24.39 28.46 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.303 -0.873 . . . . 0.0 109.666 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.582 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 6.0 m-85 -91.26 17.0 8.86 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.394 -0.816 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.492 ' HA ' ' O ' ' A' ' 19' ' ' LYS . 20.8 ptm -94.79 131.05 41.06 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.062 -1.024 . . . . 0.0 110.372 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' LYS . 55.1 tttp -105.31 77.64 1.31 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.208 -0.932 . . . . 0.0 110.28 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 10.9 t-20 68.24 56.16 0.51 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.246 -0.909 . . . . 0.0 110.543 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.36 -28.65 7.94 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.515 ' HD3' ' N ' ' A' ' 20' ' ' LEU . 1.3 tmtp? -87.02 151.38 23.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -1.149 . . . . 0.0 109.62 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.515 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 20.3 tp -124.83 118.64 26.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.234 -0.916 . . . . 0.0 110.299 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.582 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 7.0 p90 -97.58 67.64 2.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.189 -0.944 . . . . 0.0 109.846 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.585 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -47.93 -48.89 61.23 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.438 -0.789 . . . . 0.0 111.399 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.5 Cg_exo -61.12 82.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.314 -1.244 0 O-C-N 123.254 1.134 . . . . 0.0 110.738 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.526 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 10.6 tt0 -113.45 -78.31 0.58 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.476 -0.765 . . . . 0.0 109.755 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 36.7 m-20 -135.14 61.63 1.66 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.421 -0.799 . . . . 0.0 109.683 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' PHE . 62.0 mttt -53.5 -16.32 1.44 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.0 110.879 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' LYS . 80.4 mttt -41.69 -26.81 0.08 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.051 -1.031 . . . . 0.0 110.157 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 24.9 m-85 -51.0 -20.23 1.29 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.263 -0.898 . . . . 0.0 110.206 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.526 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 13.7 t80 -44.22 -25.21 0.21 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.128 -0.982 . . . . 0.0 110.248 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' PHE . 15.8 mt-30 -69.1 -3.33 12.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.261 -0.899 . . . . 0.0 110.615 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.7 t -134.71 157.22 47.25 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.085 -1.009 . . . . 0.0 110.281 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.459 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.8 tm? -56.53 -47.96 78.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.28 -0.888 . . . . 0.0 109.956 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -54.43 -39.28 67.2 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.369 -0.832 . . . . 0.0 108.888 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.483 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.73 -51.18 26.24 Favored Glycine 0 N--CA 1.484 1.873 0 N-CA-C 108.131 -1.988 . . . . 0.0 108.131 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.485 HD12 ' CG ' ' A' ' 29' ' ' PHE . 6.2 mm -53.49 -32.21 20.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 121.438 -1.037 . . . . 0.0 109.11 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.426 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -75.35 -66.09 0.81 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.297 -0.877 . . . . 0.0 109.98 179.496 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.637 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -50.08 -47.81 53.45 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.285 -0.884 . . . . 0.0 109.117 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.637 ' CG1' ' CE1' ' A' ' 37' ' ' PHE . 7.5 mt -53.54 -36.48 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.908 -1.12 . . . . 0.0 108.966 178.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 36' ' ' MET . 1.1 m-80 -74.65 -28.96 61.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.529 -0.732 . . . . 0.0 109.532 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 44' ' ' CYS . 17.0 mttt -88.01 -25.78 22.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.355 -0.841 . . . . 0.0 109.784 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.588 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 2.5 t -42.61 -73.46 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.21 -0.931 . . . . 0.0 110.18 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.06 75.12 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.662 -0.649 . . . . 0.0 110.779 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' CG ' ' A' ' 46' ' ' MET . 78.2 m -71.47 -22.5 61.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.245 -0.909 . . . . 0.0 110.296 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.549 ' N ' ' O ' ' A' ' 40' ' ' LYS . 5.2 t -89.04 -49.99 6.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.27 -0.894 . . . . 0.0 109.542 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.49 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . 10.1 tttt -46.91 -43.48 18.97 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.36 -0.837 . . . . 0.0 109.167 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.515 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -61.41 -29.07 69.7 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.357 -0.839 . . . . 0.0 109.836 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.501 ' CD1' ' SD ' ' A' ' 46' ' ' MET . 26.6 mm -61.21 -37.2 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.3 -0.875 . . . . 0.0 109.583 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.6 mt . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.468 -0.77 . . . . 0.0 109.91 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.581 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 57.9 m-85 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.12 0.486 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.471 ' O ' ' HG2' ' A' ' 15' ' ' MET . 17.2 tt0 -46.24 -43.72 15.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.142 -0.974 . . . . 0.0 109.489 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.26 -18.47 61.31 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.305 -0.872 . . . . 0.0 109.77 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.584 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 14.2 m-30 -89.32 16.52 7.3 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.153 -0.967 . . . . 0.0 110.33 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.545 ' O ' ' CG ' ' A' ' 15' ' ' MET . 16.5 ptm -103.02 116.48 32.6 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.153 -0.967 . . . . 0.0 110.41 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 11.6 tttt -93.38 87.47 5.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.028 -1.045 . . . . 0.0 110.03 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 77.6 m-20 58.3 52.97 6.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.338 -0.851 . . . . 0.0 110.383 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.67 -14.76 62.08 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . 6.5 tmtm? -93.61 105.15 17.22 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.082 -1.246 . . . . 0.0 110.436 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' A' ' 45' ' ' LYS . 20.5 tp -86.36 111.0 20.07 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.186 -0.946 . . . . 0.0 110.097 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 7.9 p90 -99.07 69.44 1.74 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.062 -1.024 . . . . 0.0 110.153 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.589 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -49.55 -48.07 76.73 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.483 -0.761 . . . . 0.0 111.291 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.01 73.79 0.1 OUTLIER 'Trans proline' 0 C--N 1.315 -1.225 0 O-C-N 123.228 1.12 . . . . 0.0 110.883 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' CYS . 6.5 tt0 -109.55 -42.87 4.2 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.428 -0.795 . . . . 0.0 109.403 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.575 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 53.2 t0 -171.81 61.0 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.635 -0.665 . . . . 0.0 109.456 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.475 ' CA ' HD13 ' A' ' 38' ' ' ILE . 83.9 mttt -55.22 -15.17 2.12 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.421 -0.8 . . . . 0.0 110.871 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 94.6 mttt -41.16 -27.58 0.07 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.309 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 14.7 m-85 -50.32 -26.86 5.3 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.247 -0.908 . . . . 0.0 109.923 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.636 ' CE1' ' CD1' ' A' ' 35' ' ' ILE . 50.9 t80 -42.98 -25.46 0.1 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.351 -0.843 . . . . 0.0 110.601 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 28' ' ' PHE . 47.7 mt-30 -65.67 -7.2 14.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.322 -0.861 . . . . 0.0 110.628 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.2 m -128.77 166.43 19.03 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.117 -0.989 . . . . 0.0 110.162 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.68 -54.64 42.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.253 -0.904 . . . . 0.0 110.173 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -52.85 -36.6 59.08 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.299 -0.876 . . . . 0.0 108.885 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.487 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -72.76 -45.72 33.49 Favored Glycine 0 N--CA 1.485 1.902 0 N-CA-C 108.135 -1.986 . . . . 0.0 108.135 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.636 ' CD1' ' CE1' ' A' ' 29' ' ' PHE . 2.0 mm -55.21 -34.54 33.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 121.222 -1.163 . . . . 0.0 108.981 179.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.461 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 5.6 mtp -75.84 -64.75 1.02 Allowed 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.176 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.639 ' CE1' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -46.45 -48.87 18.87 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.262 -0.899 . . . . 0.0 109.107 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.639 ' CD1' ' CE1' ' A' ' 37' ' ' PHE . 24.5 mm -49.21 -41.22 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.896 -1.128 . . . . 0.0 109.198 178.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 96.5 m-20 -68.71 -34.0 74.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.442 -0.786 . . . . 0.0 110.002 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 38.3 mttt -85.01 -25.69 27.54 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.329 -0.857 . . . . 0.0 110.017 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.58 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 6.7 t -47.04 -72.25 0.06 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -0.915 . . . . 0.0 109.963 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.92 -33.59 64.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.467 -0.771 . . . . 0.0 110.338 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.532 ' O ' ' CG ' ' A' ' 46' ' ' MET . 28.9 m -67.68 -58.2 5.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 110.112 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.469 ' O ' HD21 ' A' ' 48' ' ' LEU . 65.8 m -48.78 -33.46 10.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.123 -0.986 . . . . 0.0 109.92 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.479 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 19.4 tttp -60.55 -47.47 86.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.306 -0.871 . . . . 0.0 110.109 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.549 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -63.78 -23.39 67.34 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.239 -0.913 . . . . 0.0 110.029 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.549 ' N ' ' HG3' ' A' ' 46' ' ' MET . 26.6 mm -63.35 -41.89 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.386 -0.821 . . . . 0.0 109.6 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.394 -0.816 . . . . 0.0 109.536 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 40.8 m-85 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.094 0.473 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' A' ' 15' ' ' MET . 56.6 tt0 -46.49 -42.31 15.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.161 -0.962 . . . . 0.0 110.044 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.54 -14.39 12.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.353 -0.842 . . . . 0.0 110.053 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.59 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 20.9 m-85 -96.44 19.9 11.41 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.253 -0.904 . . . . 0.0 110.546 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.466 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 94.3 mtp -94.39 96.07 9.28 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.193 -0.942 . . . . 0.0 110.15 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.551 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 74.0 tttt -79.93 97.46 6.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.426 -0.796 . . . . 0.0 110.223 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 15.1 t-20 61.05 59.0 2.12 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.251 -0.906 . . . . 0.0 110.139 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.1 18.91 63.15 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.506 -1.437 . . . . 0.0 109.506 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.2 tmtp? -126.92 114.08 17.39 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.215 -1.168 . . . . 0.0 110.049 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' C ' ' CD2' ' A' ' 20' ' ' LEU . 2.1 tt -83.63 116.23 22.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.244 -0.91 . . . . 0.0 110.469 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 10.0 p90 -101.3 74.74 1.58 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.218 -0.926 . . . . 0.0 109.72 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.626 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 5.5 t -56.64 -42.76 97.93 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.351 -0.843 . . . . 0.0 111.684 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 2.8 Cg_endo -65.46 75.75 0.27 Allowed 'Trans proline' 0 C--N 1.316 -1.142 0 O-C-N 122.711 0.848 . . . . 0.0 111.069 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 22' ' ' CYS . 4.8 pt20 -119.98 -113.29 0.33 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.966 -1.084 . . . . 0.0 109.489 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.587 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 8.3 t0 -97.8 68.89 2.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.892 -1.13 . . . . 0.0 109.843 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' PHE . 86.5 mttt -64.6 -5.68 6.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -0.959 . . . . 0.0 110.953 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 91.4 mttt -41.64 -26.82 0.08 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.138 -0.976 . . . . 0.0 110.316 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 57.1 m-85 -44.78 -24.89 0.24 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.258 -0.901 . . . . 0.0 110.124 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.568 ' CD2' HD12 ' A' ' 35' ' ' ILE . 9.1 t80 -43.53 -24.0 0.09 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.324 -0.86 . . . . 0.0 110.831 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 28' ' ' PHE . 28.5 pt20 -69.16 -2.67 10.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.114 -0.992 . . . . 0.0 110.802 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.4 t -138.23 152.55 48.71 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.983 -1.073 . . . . 0.0 110.447 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tt -51.34 -47.52 62.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.209 -0.932 . . . . 0.0 110.011 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -54.85 -38.48 67.51 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.282 -0.886 . . . . 0.0 108.99 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.481 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -68.81 -53.42 19.7 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 108.215 -1.954 . . . . 0.0 108.215 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.568 HD12 ' CD2' ' A' ' 29' ' ' PHE . 3.3 mm -52.33 -30.98 14.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.242 -1.152 . . . . 0.0 108.973 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.415 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -75.26 -67.23 0.68 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.45 -0.781 . . . . 0.0 110.123 179.463 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -51.11 -45.69 61.64 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.262 -0.899 . . . . 0.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.634 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 6.5 mt -52.43 -34.52 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.828 -1.17 . . . . 0.0 109.191 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 36' ' ' MET . 0.9 OUTLIER -77.56 -35.69 52.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.437 -0.789 . . . . 0.0 109.59 179.382 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -76.5 -19.6 57.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.436 -0.79 . . . . 0.0 109.67 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.494 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -54.33 -66.03 0.47 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.372 -0.83 . . . . 0.0 109.94 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.14 -33.09 67.04 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.372 -0.83 . . . . 0.0 109.807 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.531 ' O ' ' CG ' ' A' ' 46' ' ' MET . 97.5 m -68.3 -55.57 11.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.388 -0.82 . . . . 0.0 110.226 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.3 m -62.22 -27.35 68.92 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.146 -0.971 . . . . 0.0 110.332 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -64.2 -50.23 68.89 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.233 -0.917 . . . . 0.0 110.373 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.538 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -59.35 -25.75 64.48 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.139 -0.976 . . . . 0.0 110.036 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.538 ' N ' ' HG3' ' A' ' 46' ' ' MET . 20.6 mm -57.76 -41.64 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.288 -0.883 . . . . 0.0 109.564 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 4.1 mm? . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.344 -0.847 . . . . 0.0 109.516 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.592 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 27.1 m-85 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.129 0.49 . . . . 0.0 110.462 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.463 ' O ' ' HG2' ' A' ' 15' ' ' MET . 57.8 tt0 -44.18 -47.53 9.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.133 -0.98 . . . . 0.0 110.2 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.75 -17.48 15.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.277 -0.889 . . . . 0.0 110.077 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 16.9 m-30 -90.25 13.37 15.45 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.363 -0.836 . . . . 0.0 110.511 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.528 ' O ' ' CG ' ' A' ' 15' ' ' MET . 17.1 ptm -101.48 119.19 38.39 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.912 -1.117 . . . . 0.0 110.708 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 48.6 tptt -97.33 84.96 3.55 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.209 -0.932 . . . . 0.0 109.87 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 84.3 m-20 58.85 54.73 4.97 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.459 -0.775 . . . . 0.0 110.673 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.24 -15.15 60.49 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.511 ' HD3' ' N ' ' A' ' 20' ' ' LEU . 3.9 tmtm? -94.72 128.52 41.46 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.096 -1.237 . . . . 0.0 110.183 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.511 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 28.0 tp -108.85 116.16 31.46 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.117 -0.99 . . . . 0.0 110.277 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.583 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 29.6 p90 -103.49 69.56 1.0 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.1 -1.0 . . . . 0.0 110.175 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.599 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -55.72 -47.63 98.29 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.429 -0.795 . . . . 0.0 111.573 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.41 83.98 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.22 0 O-C-N 123.224 1.118 . . . . 0.0 111.084 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.51 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 12.6 tt0 -125.97 -78.72 0.59 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.424 -0.797 . . . . 0.0 109.774 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.583 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 13.7 t0 -135.4 76.78 1.64 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.428 -0.795 . . . . 0.0 109.808 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 51.1 mttt -69.65 -2.52 11.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.277 -0.889 . . . . 0.0 110.799 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' LYS . 58.9 mmtt -42.15 -27.81 0.15 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.186 -0.946 . . . . 0.0 110.132 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.583 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 25.4 m-85 -46.74 -23.52 0.43 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.258 -0.902 . . . . 0.0 110.168 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CD2' HD12 ' A' ' 35' ' ' ILE . 13.0 t80 -49.76 -19.49 0.65 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.11 -0.993 . . . . 0.0 110.588 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -63.49 -8.88 10.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.145 -0.972 . . . . 0.0 110.581 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.5 m -141.94 163.21 33.5 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.033 -1.042 . . . . 0.0 110.705 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.55 -55.32 34.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.345 -0.847 . . . . 0.0 110.355 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -52.25 -38.48 58.26 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.318 -0.864 . . . . 0.0 108.794 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.535 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.15 -42.65 50.26 Favored Glycine 0 N--CA 1.483 1.8 0 N-CA-C 108.204 -1.959 . . . . 0.0 108.204 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.58 HD12 ' CD2' ' A' ' 29' ' ' PHE . 3.8 mm -56.98 -33.73 42.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.425 -1.044 . . . . 0.0 109.482 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' PHE . 51.6 mmm -60.02 -60.08 4.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.161 -0.962 . . . . 0.0 110.243 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.34 -52.72 5.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.222 -0.924 . . . . 0.0 109.375 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.643 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 8.0 mt -52.33 -37.93 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.886 -1.134 . . . . 0.0 109.769 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 36' ' ' MET . 8.3 m120 -71.86 -26.53 62.4 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.37 -0.831 . . . . 0.0 109.924 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 44' ' ' CYS . 11.7 mttt -97.24 -18.23 19.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 109.778 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.587 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 10.3 t -50.62 -74.57 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.379 -0.826 . . . . 0.0 110.191 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.57 -28.78 69.87 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.465 -0.772 . . . . 0.0 110.269 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' CG ' ' A' ' 46' ' ' MET . 97.4 m -76.56 -17.79 59.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.935 . . . . 0.0 109.928 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 40' ' ' LYS . 35.9 t -87.67 -45.5 10.33 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.407 -0.808 . . . . 0.0 109.653 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -56.59 -25.47 52.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.324 -0.86 . . . . 0.0 109.575 179.548 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.533 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.8 OUTLIER -79.11 -23.59 43.97 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.402 -0.811 . . . . 0.0 109.383 179.63 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.533 ' N ' ' HG3' ' A' ' 46' ' ' MET . 29.0 mm -63.5 -45.44 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.395 -0.816 . . . . 0.0 109.323 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.488 1.475 0 O-C-N 121.463 -0.773 . . . . 0.0 109.739 179.575 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.699 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 65.9 m-85 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.128 0.49 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' A' ' 15' ' ' MET . 24.9 tt0 -44.98 -36.37 3.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.107 -0.996 . . . . 0.0 110.012 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.71 -21.89 66.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.192 -0.943 . . . . 0.0 110.014 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.579 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 5.9 m-30 -92.14 18.27 8.35 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.247 -0.908 . . . . 0.0 110.351 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.537 ' O ' ' CG ' ' A' ' 15' ' ' MET . 20.9 ptm -96.96 117.1 30.4 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.082 -1.011 . . . . 0.0 110.356 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 11.3 tttt -95.74 92.39 6.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.195 -0.941 . . . . 0.0 109.971 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 78.1 m-20 58.12 51.31 8.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.396 -0.815 . . . . 0.0 110.253 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.24 -14.46 49.94 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -94.58 106.13 18.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.153 -1.204 . . . . 0.0 110.34 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.522 ' CD2' ' HA ' ' A' ' 45' ' ' LYS . 57.3 tp -91.17 120.78 32.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.171 -0.956 . . . . 0.0 110.261 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.579 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 6.3 p90 -96.18 86.03 4.15 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.227 -0.921 . . . . 0.0 109.778 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 43.1 t -57.51 -41.98 93.4 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.438 -0.789 . . . . 0.0 112.025 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -63.19 72.7 0.13 Allowed 'Trans proline' 0 C--N 1.318 -1.056 0 O-C-N 122.729 0.857 . . . . 0.0 110.767 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.52 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 19.9 tt0 -105.38 -91.18 0.4 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.355 -0.841 . . . . 0.0 109.789 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.593 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 60.1 t0 -138.97 74.91 1.49 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.835 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' PHE . 79.1 mttt -60.44 -8.77 2.93 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.167 -0.958 . . . . 0.0 111.092 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' LYS . 64.7 mmtt -41.05 -27.43 0.06 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.009 -1.057 . . . . 0.0 110.604 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 23.0 m-85 -59.05 -14.41 9.64 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.197 -0.939 . . . . 0.0 110.07 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CG ' HD12 ' A' ' 35' ' ' ILE . 12.7 t80 -51.87 -19.89 1.97 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.284 -0.885 . . . . 0.0 110.274 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.53 -0.96 14.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.324 -0.86 . . . . 0.0 110.608 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.1 m -133.99 149.58 51.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.167 -0.958 . . . . 0.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -52.8 -47.86 67.31 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 0.0 110.126 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -57.29 -43.28 83.02 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.316 -0.865 . . . . 0.0 108.953 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.476 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.13 -41.07 82.03 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 108.261 -1.936 . . . . 0.0 108.261 178.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.58 HD12 ' CG ' ' A' ' 29' ' ' PHE . 1.8 mm -57.5 -37.77 59.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.371 -1.076 . . . . 0.0 109.175 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 10.0 mtp -75.17 -62.53 1.52 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.346 -0.846 . . . . 0.0 110.292 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.699 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -46.95 -50.18 19.38 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.142 -0.973 . . . . 0.0 109.229 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.625 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 5.9 mt -51.43 -39.21 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.069 -1.02 . . . . 0.0 109.196 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 36' ' ' MET . 8.2 m120 -66.84 -34.82 78.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.345 -0.847 . . . . 0.0 109.283 179.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 44' ' ' CYS . 10.6 mttt -69.94 -37.73 75.96 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.441 -0.787 . . . . 0.0 110.176 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.575 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 3.1 t -41.52 -67.4 0.26 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.262 -0.899 . . . . 0.0 110.347 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.447 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -53.54 -33.36 54.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.235 -0.916 . . . . 0.0 110.318 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.508 ' O ' ' CG ' ' A' ' 46' ' ' MET . 24.2 m -79.99 -23.85 41.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.231 -0.918 . . . . 0.0 110.209 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.511 ' N ' ' O ' ' A' ' 40' ' ' LYS . 72.7 m -86.19 -50.87 6.66 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.294 -0.879 . . . . 0.0 109.969 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' A' ' 46' ' ' MET . 5.5 ptpt -50.75 -26.79 6.04 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.295 -0.878 . . . . 0.0 110.115 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.53 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 1.3 ppp? -79.05 -24.46 43.55 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.227 -0.921 . . . . 0.0 109.949 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.527 ' N ' ' HG3' ' A' ' 46' ' ' MET . 25.2 mm -62.99 -37.48 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.406 -0.809 . . . . 0.0 109.53 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.477 -0.765 . . . . 0.0 109.66 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.703 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 64.3 m-85 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.166 0.508 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.49 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 35.3 tt0 -45.46 -44.39 12.26 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.072 -1.017 . . . . 0.0 109.802 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.68 -18.09 18.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.278 -0.889 . . . . 0.0 109.903 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.582 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 9.9 m-85 -98.26 21.36 11.05 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.311 -0.868 . . . . 0.0 110.551 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.526 ' O ' ' CG ' ' A' ' 15' ' ' MET . 16.1 ptm -95.7 103.37 15.24 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.16 -0.963 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' LYS . 11.9 tttt -83.66 95.1 8.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.101 -1.0 . . . . 0.0 110.097 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 73.0 m-80 57.33 54.69 6.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.337 -0.852 . . . . 0.0 110.194 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.55 -2.48 62.85 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' LYS . 6.6 tmtt? -105.32 105.89 16.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.175 -1.191 . . . . 0.0 110.189 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' A' ' 45' ' ' LYS . 15.6 tp -85.36 117.4 24.26 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.292 -0.88 . . . . 0.0 110.16 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.582 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 9.3 p90 -95.58 86.68 4.51 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.178 -0.951 . . . . 0.0 109.627 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.603 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 30.5 t -55.9 -42.64 97.13 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.493 -0.754 . . . . 0.0 111.992 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.2 Cg_exo -62.28 82.0 0.1 OUTLIER 'Trans proline' 0 C--N 1.319 -1.004 0 O-C-N 122.656 0.819 . . . . 0.0 110.808 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.528 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 21.2 tt0 -115.54 -91.26 0.53 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.331 -0.856 . . . . 0.0 109.777 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.595 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 52.5 t0 -134.96 67.69 1.49 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.204 -0.935 . . . . 0.0 109.658 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 28' ' ' PHE . 75.8 mttt -53.22 -13.49 0.53 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.323 -0.861 . . . . 0.0 111.359 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' LYS . 71.0 mmtt -39.83 -27.54 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.114 -0.991 . . . . 0.0 110.628 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 50.5 m-85 -53.1 -19.92 3.28 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.132 -0.98 . . . . 0.0 109.681 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CD2' HD12 ' A' ' 35' ' ' ILE . 6.4 t80 -47.72 -22.2 0.49 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.414 -0.804 . . . . 0.0 110.31 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -68.5 -4.26 14.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -0.901 . . . . 0.0 110.544 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.6 p -135.99 153.38 51.4 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.12 -0.988 . . . . 0.0 110.344 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.434 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 2.8 tm? -53.56 -52.13 60.73 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.278 -0.889 . . . . 0.0 110.085 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -53.26 -38.2 62.82 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.396 -0.815 . . . . 0.0 108.973 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.47 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -71.94 -46.27 37.78 Favored Glycine 0 N--CA 1.486 2.003 0 N-CA-C 108.114 -1.994 . . . . 0.0 108.114 178.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.577 HD12 ' CD2' ' A' ' 29' ' ' PHE . 2.2 mm -56.45 -34.56 41.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.299 -1.118 . . . . 0.0 109.116 179.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.463 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 6.2 mmm -74.98 -64.36 1.07 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.286 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.703 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -47.87 -48.71 31.09 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.097 -1.002 . . . . 0.0 109.187 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.608 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 5.0 mt -51.45 -38.85 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.037 -1.039 . . . . 0.0 109.184 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 91.8 m-20 -67.91 -37.37 81.63 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.399 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' CYS . 38.6 mttt -70.54 -31.17 68.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.511 -0.743 . . . . 0.0 109.781 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.567 ' SG ' ' CE1' ' A' ' 11' ' ' PHE . 1.6 t -43.46 -66.55 0.36 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.173 -0.954 . . . . 0.0 110.153 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.35 64.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.282 -0.886 . . . . 0.0 110.097 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.537 ' O ' ' CG ' ' A' ' 46' ' ' MET . 88.8 m -69.76 -56.05 8.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.242 -0.911 . . . . 0.0 110.106 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.463 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 49.1 m -56.66 -36.35 69.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.272 -0.892 . . . . 0.0 110.125 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.492 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 20.1 ttmt -55.15 -45.9 75.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -0.891 . . . . 0.0 110.445 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.548 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.01 -22.78 64.97 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.145 -0.972 . . . . 0.0 110.298 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.548 ' N ' ' HG3' ' A' ' 46' ' ' MET . 38.8 mm -59.36 -37.35 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.208 -0.932 . . . . 0.0 109.834 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.4 mm? . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.844 . . . . 0.0 109.819 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.609 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 37.1 m-85 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.152 0.501 . . . . 0.0 110.433 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.522 ' HG3' ' CE ' ' A' ' 15' ' ' MET . 50.0 tt0 -45.23 -43.74 10.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.107 -0.995 . . . . 0.0 109.82 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.52 -19.49 48.61 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.366 -0.834 . . . . 0.0 109.907 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.585 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 15.9 m-30 -87.65 15.03 7.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.244 -0.91 . . . . 0.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.522 ' CE ' ' HG3' ' A' ' 12' ' ' GLN . 21.2 mtm -91.11 107.43 19.2 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.157 -0.964 . . . . 0.0 110.369 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 54.1 tttm -91.88 103.18 15.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.477 -0.765 . . . . 0.0 109.98 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 52.84 55.41 9.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.198 -0.939 . . . . 0.0 109.948 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.03 21.01 73.33 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 12.7 tmtt? -131.18 99.57 4.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.23 -1.159 . . . . 0.0 110.221 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 20' ' ' LEU . 4.0 tt -69.44 125.88 28.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.176 -0.952 . . . . 0.0 110.183 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.585 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 6.7 p90 -107.83 81.28 1.48 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.161 -0.962 . . . . 0.0 110.251 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 7.9 t -54.01 -43.5 96.89 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.37 -0.832 . . . . 0.0 111.496 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.2 Cg_exo -63.03 75.29 0.12 Allowed 'Trans proline' 0 C--N 1.319 -1.021 0 O-C-N 122.778 0.883 . . . . 0.0 110.527 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.501 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 17.1 tt0 -120.22 -85.71 0.65 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.391 -0.818 . . . . 0.0 110.021 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.591 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 11.0 t0 -132.11 69.21 1.48 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.276 -0.89 . . . . 0.0 110.087 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 28' ' ' PHE . 66.4 mttt -66.21 -4.97 8.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.226 -0.921 . . . . 0.0 110.717 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 26' ' ' LYS . 43.4 mttm -40.56 -27.85 0.06 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.219 -0.925 . . . . 0.0 110.282 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 19.8 m-85 -49.84 -21.26 1.08 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.285 -0.884 . . . . 0.0 110.07 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 9.0 t80 -51.2 -19.03 1.05 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.271 -0.893 . . . . 0.0 110.619 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -67.29 -5.64 15.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.185 -0.947 . . . . 0.0 110.778 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.5 m -144.44 161.3 39.38 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.008 -1.057 . . . . 0.0 110.615 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -60.94 -58.04 10.1 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.334 -0.854 . . . . 0.0 110.055 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 36' ' ' MET . 59.4 m-20 -48.92 -37.28 19.44 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.548 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.89 -45.07 34.94 Favored Glycine 0 N--CA 1.482 1.745 0 N-CA-C 108.096 -2.002 . . . . 0.0 108.096 178.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.573 HD12 ' CG ' ' A' ' 29' ' ' PHE . 6.7 mm -56.05 -32.03 32.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.349 -1.089 . . . . 0.0 109.281 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 33' ' ' ASP . 3.2 mtt -57.64 -60.97 2.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.291 -0.881 . . . . 0.0 110.312 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.99 -52.06 12.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.167 -0.958 . . . . 0.0 109.531 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.642 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 10.6 mt -51.17 -34.59 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.759 -1.213 . . . . 0.0 109.728 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 82.7 m-20 -82.64 -19.65 37.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.422 -0.799 . . . . 0.0 110.127 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' CYS . 61.2 tttp -90.52 -28.78 18.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.253 -0.904 . . . . 0.0 110.703 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.571 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 5.7 t -58.63 -74.17 0.07 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.107 -0.996 . . . . 0.0 110.584 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.3 -34.95 1.32 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.02 -1.05 . . . . 0.0 110.094 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.49 ' O ' ' CG ' ' A' ' 46' ' ' MET . 98.4 m -79.59 -24.73 41.82 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.874 . . . . 0.0 109.516 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' A' ' 41' ' ' CYS . 10.1 t -85.16 -43.51 13.77 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.48 -0.763 . . . . 0.0 109.547 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HA ' HD13 ' A' ' 48' ' ' LEU . 27.8 tttt -51.91 -45.09 64.11 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.318 -0.864 . . . . 0.0 109.867 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.5 OUTLIER -60.34 -26.83 66.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.261 -0.899 . . . . 0.0 109.931 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.468 ' HB ' ' O ' ' A' ' 44' ' ' CYS . 24.4 mm -57.49 -36.98 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.24 -0.912 . . . . 0.0 109.517 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.2 mt . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.385 -0.822 . . . . 0.0 109.822 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.689 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 62.8 m-85 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.055 0.455 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.497 ' O ' ' CG ' ' A' ' 15' ' ' MET . 40.2 tt0 -46.59 -48.34 19.66 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.058 -1.026 . . . . 0.0 109.053 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.94 -19.64 13.02 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.309 -0.87 . . . . 0.0 109.455 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.579 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 14.1 m-30 -89.4 12.9 14.99 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.265 -0.897 . . . . 0.0 110.405 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.545 ' O ' ' CG ' ' A' ' 15' ' ' MET . 14.0 ptm -92.76 103.92 16.24 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.055 -1.028 . . . . 0.0 110.381 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 19' ' ' LYS . 11.9 ttmt -87.3 91.96 8.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.117 -0.99 . . . . 0.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 76.0 m-20 57.67 53.15 7.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.29 -0.881 . . . . 0.0 110.178 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.49 -3.38 85.15 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . 6.6 tmtm? -101.35 102.76 13.66 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.126 -1.22 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.484 ' C ' ' CD2' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -89.83 103.99 16.59 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.252 -0.905 . . . . 0.0 110.073 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.579 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 8.0 p90 -87.54 69.21 9.76 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.139 -0.976 . . . . 0.0 110.01 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.591 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -45.11 -50.26 27.97 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.434 -0.791 . . . . 0.0 111.493 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.7 Cg_exo -59.2 78.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.315 -1.227 0 O-C-N 123.165 1.087 . . . . 0.0 110.809 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.517 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 9.3 tt0 -105.94 -89.29 0.43 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.543 -0.723 . . . . 0.0 109.488 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.58 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 41.6 t0 -130.6 70.14 1.45 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.292 -0.88 . . . . 0.0 109.532 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' PHE . 25.4 mttt -54.98 -14.39 1.47 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.341 -0.85 . . . . 0.0 111.019 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' LYS . 27.1 mmtp -41.42 -26.84 0.07 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.102 -0.998 . . . . 0.0 110.289 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 31.2 m-85 -54.12 -18.25 3.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.145 -0.972 . . . . 0.0 110.002 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.576 ' CG ' HD12 ' A' ' 35' ' ' ILE . 20.7 t80 -49.42 -20.83 0.77 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.229 -0.919 . . . . 0.0 110.448 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -70.21 -1.97 11.82 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.209 -0.932 . . . . 0.0 110.701 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.4 m -136.41 149.12 48.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.128 -0.982 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.08 -47.01 65.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.25 -0.906 . . . . 0.0 110.123 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -56.93 -41.65 78.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.375 -0.828 . . . . 0.0 109.119 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.477 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -68.51 -45.69 66.41 Favored Glycine 0 N--CA 1.485 1.944 0 N-CA-C 108.273 -1.931 . . . . 0.0 108.273 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.576 HD12 ' CG ' ' A' ' 29' ' ' PHE . 4.8 mm -55.38 -36.72 41.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 121.373 -1.075 . . . . 0.0 109.157 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.46 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 2.6 mtt -69.21 -65.41 0.71 Allowed 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.93 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.689 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -48.29 -51.14 27.19 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 119.444 -0.902 . . . . 0.0 108.934 179.753 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.587 HG13 ' CE1' ' A' ' 37' ' ' PHE . 8.1 mt -48.7 -37.67 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.152 -0.968 . . . . 0.0 109.192 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.46 ' HB2' ' O ' ' A' ' 36' ' ' MET . 2.9 m120 -73.17 -31.18 64.07 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.437 -0.789 . . . . 0.0 109.152 179.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' CYS . 18.9 mttt -77.33 -30.98 54.23 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.469 -0.769 . . . . 0.0 109.364 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.581 ' CA ' ' CZ ' ' A' ' 11' ' ' PHE . 2.2 t -41.09 -72.7 0.06 Allowed 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.556 0.693 . . . . 0.0 109.949 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.65 -32.47 59.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.609 -0.682 . . . . 0.0 110.391 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.526 ' O ' ' CG ' ' A' ' 46' ' ' MET . 25.5 m -69.08 -58.72 3.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.187 -0.946 . . . . 0.0 110.106 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.464 ' O ' HD11 ' A' ' 48' ' ' LEU . 10.6 t -49.56 -37.12 25.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.218 -0.926 . . . . 0.0 110.197 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.459 ' HA ' HD11 ' A' ' 48' ' ' LEU . 37.8 tttt -57.78 -46.9 83.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.342 -0.848 . . . . 0.0 110.49 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.569 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -66.98 -24.64 66.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.1 -1.0 . . . . 0.0 110.238 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.569 ' N ' ' HG3' ' A' ' 46' ' ' MET . 17.9 mm -63.15 -37.13 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.241 -0.912 . . . . 0.0 109.34 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.464 HD11 ' O ' ' A' ' 44' ' ' CYS . 1.1 mt . . . . . 0 C--N 1.304 -1.393 0 O-C-N 121.514 -0.741 . . . . 0.0 109.631 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 79.7 m-85 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.152 0.501 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.463 ' O ' ' HE1' ' A' ' 15' ' ' MET . 29.9 tt0 -44.65 -45.82 9.85 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.208 -0.933 . . . . 0.0 109.881 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.49 -19.55 57.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.291 -0.881 . . . . 0.0 110.042 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.582 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 17.0 m-30 -88.66 15.18 8.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.204 -0.935 . . . . 0.0 110.455 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.478 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 23.3 mtm -86.11 128.41 34.87 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.119 -0.988 . . . . 0.0 110.426 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -112.09 99.65 8.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.473 -0.767 . . . . 0.0 110.052 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 52.67 52.11 14.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.241 -0.912 . . . . 0.0 110.005 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.49 18.34 79.87 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' A' ' 19' ' ' LYS . 3.4 tmmm? -128.13 99.97 5.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.209 -1.171 . . . . 0.0 110.224 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.534 ' CD1' ' O ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -81.83 115.93 21.27 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.304 -0.872 . . . . 0.0 109.979 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.582 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 9.5 p90 -94.42 86.07 4.76 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.166 -0.959 . . . . 0.0 109.999 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.633 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 2.1 t -57.64 -42.84 97.71 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.359 -0.838 . . . . 0.0 111.528 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 2.7 Cg_endo -66.08 82.75 0.26 Allowed 'Trans proline' 0 C--N 1.315 -1.23 0 O-C-N 122.805 0.898 . . . . 0.0 111.132 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.53 ' OE1' ' CD2' ' A' ' 14' ' ' PHE . 4.2 pt20 -128.96 -110.44 0.27 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.106 -0.996 . . . . 0.0 109.711 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.575 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 39.1 m-20 -90.5 67.64 6.58 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.801 -1.187 . . . . 0.0 110.007 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 4.2 mtmp? -65.19 -5.62 7.32 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.191 -0.943 . . . . 0.0 111.055 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' LYS . 63.5 mmtt -44.33 -25.22 0.22 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.007 -1.058 . . . . 0.0 110.064 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.575 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 21.6 m-85 -48.15 -22.24 0.61 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.277 -0.89 . . . . 0.0 110.275 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 14.5 t80 -55.75 -15.91 3.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.227 -0.921 . . . . 0.0 110.56 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -68.33 -7.65 33.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.156 -0.965 . . . . 0.0 110.825 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.47 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 16.7 t -148.0 164.13 34.73 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.027 -1.045 . . . . 0.0 110.602 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.427 ' HA ' ' HB ' ' A' ' 35' ' ' ILE . 1.8 tm? -68.06 -53.84 22.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.294 -0.879 . . . . 0.0 110.149 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 36' ' ' MET . 55.8 t0 -54.79 -41.54 70.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.289 -0.882 . . . . 0.0 108.81 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.521 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.09 -37.49 60.0 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 107.785 -2.126 . . . . 0.0 107.785 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.576 HD12 ' CG ' ' A' ' 29' ' ' PHE . 1.7 mm -60.12 -39.54 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.571 -0.958 . . . . 0.0 109.441 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.458 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 68.2 mmm -43.38 -51.02 6.69 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.343 -0.848 . . . . 0.0 110.199 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -47.12 -47.31 23.35 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.184 -0.948 . . . . 0.0 109.566 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.636 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 8.9 mt -52.09 -39.21 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.766 -1.209 . . . . 0.0 109.78 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 36' ' ' MET . 96.7 m-20 -65.0 -39.23 93.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.358 -0.839 . . . . 0.0 109.843 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 44' ' ' CYS . 17.2 mttt -84.78 -22.47 29.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.442 -0.786 . . . . 0.0 110.022 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.489 ' SG ' ' CE1' ' A' ' 11' ' ' PHE . 1.2 t -60.21 -60.13 4.3 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.279 -0.888 . . . . 0.0 110.072 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.423 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -63.56 -31.52 72.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.299 -0.875 . . . . 0.0 110.236 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.522 ' O ' ' CG ' ' A' ' 46' ' ' MET . 91.5 m -79.71 -27.54 40.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.185 -0.947 . . . . 0.0 110.178 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.458 ' HA ' HG12 ' A' ' 47' ' ' ILE . 15.7 t -88.51 -46.45 9.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.235 -0.915 . . . . 0.0 110.19 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.53 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -53.67 -26.9 24.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.209 -0.932 . . . . 0.0 110.216 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.522 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -77.52 -24.43 49.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.324 -0.86 . . . . 0.0 109.69 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.5 ' N ' ' HG3' ' A' ' 46' ' ' MET . 16.8 mm -64.51 -24.87 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.362 -0.836 . . . . 0.0 109.619 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.513 HD23 ' N ' ' A' ' 48' ' ' LEU . 2.6 mm? . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.331 -0.856 . . . . 0.0 109.645 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.569 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 69.4 m-85 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.257 0.551 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 15' ' ' MET . 14.2 tt0 -48.29 -37.96 17.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.052 -1.03 . . . . 0.0 109.596 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.55 -15.5 63.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.337 -0.852 . . . . 0.0 109.538 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.583 ' O ' ' CD2' ' A' ' 21' ' ' PHE . 14.8 m-30 -85.09 15.07 4.36 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.358 -0.839 . . . . 0.0 110.042 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 82.4 mtp -85.93 89.13 7.7 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.164 -0.96 . . . . 0.0 110.028 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 19' ' ' LYS . 76.4 tttt -79.97 103.33 9.78 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.413 -0.804 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 55.14 59.1 4.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.194 -0.941 . . . . 0.0 109.847 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.96 21.66 63.8 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 11.1 tmtt? -126.09 96.01 4.59 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.334 -1.098 . . . . 0.0 110.16 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 45' ' ' LYS . 8.0 tp -73.59 108.84 6.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.23 -0.918 . . . . 0.0 110.068 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 14' ' ' PHE . 27.8 p90 -96.06 76.3 3.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.172 -0.955 . . . . 0.0 110.06 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.59 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -58.23 -47.42 98.85 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.371 -0.831 . . . . 0.0 111.506 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.61 83.86 0.11 Allowed 'Trans proline' 0 C--N 1.314 -1.259 0 O-C-N 123.247 1.13 . . . . 0.0 110.973 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.507 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 14.5 tt0 -124.29 -78.76 0.6 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.459 -0.776 . . . . 0.0 109.878 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.585 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 26.5 t0 -129.73 74.14 1.57 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.441 -0.787 . . . . 0.0 109.926 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 16.6 mttt -66.38 -5.22 10.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.187 -0.946 . . . . 0.0 110.774 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LYS . 44.4 mttp -42.53 -26.56 0.12 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.056 -1.028 . . . . 0.0 110.215 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 21.5 m-85 -53.11 -18.85 2.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -0.878 . . . . 0.0 110.114 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.593 ' CD2' HG13 ' A' ' 35' ' ' ILE . 3.5 t80 -55.87 -18.06 7.92 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.298 -0.877 . . . . 0.0 110.534 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -63.67 -12.58 35.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.141 -0.974 . . . . 0.0 110.81 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.46 ' O ' ' HB ' ' A' ' 35' ' ' ILE . 13.6 t -133.51 154.09 51.11 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.043 -1.036 . . . . 0.0 110.672 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 35' ' ' ILE . 1.3 tt -61.4 -32.51 72.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.279 -0.888 . . . . 0.0 109.967 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -82.88 -40.11 20.67 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.393 -0.817 . . . . 0.0 109.701 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.544 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -73.16 -33.17 59.54 Favored Glycine 0 N--CA 1.486 1.973 0 N-CA-C 108.631 -1.788 . . . . 0.0 108.631 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.593 HG13 ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -74.11 -41.72 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.412 -1.052 . . . . 0.0 109.373 179.254 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.546 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 13.5 mtp -40.67 -40.88 1.39 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.914 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.636 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -50.27 -41.61 50.78 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.945 179.586 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.636 ' CG1' ' CE1' ' A' ' 37' ' ' PHE . 29.7 mt -53.71 -46.19 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.956 -1.09 . . . . 0.0 109.233 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.45 ' O ' ' OG1' ' A' ' 43' ' ' THR . 93.6 m-20 -59.14 -33.59 71.07 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.638 -0.663 . . . . 0.0 109.921 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 41.7 mttt -90.61 -24.97 20.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.379 -0.826 . . . . 0.0 109.937 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.533 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 7.3 t -50.22 -75.34 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.287 -0.883 . . . . 0.0 110.192 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.455 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -52.76 -38.71 61.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.353 -0.842 . . . . 0.0 110.166 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.524 ' O ' ' CG ' ' A' ' 46' ' ' MET . 11.0 m -62.29 -59.64 4.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.211 -0.931 . . . . 0.0 109.957 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.469 ' O ' HD21 ' A' ' 48' ' ' LEU . 94.5 m -44.11 -42.89 6.59 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.161 -0.962 . . . . 0.0 109.855 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 27.2 tttt -52.5 -44.54 65.74 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.287 -0.883 . . . . 0.0 110.198 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.568 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -72.83 -23.32 60.75 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.077 -1.015 . . . . 0.0 110.026 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.568 ' N ' ' HG3' ' A' ' 46' ' ' MET . 44.1 mm -61.25 -39.91 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.349 -0.844 . . . . 0.0 109.425 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.517 HD23 ' N ' ' A' ' 48' ' ' LEU . 3.4 mm? . . . . . 0 N--CA 1.489 1.491 0 O-C-N 121.452 -0.78 . . . . 0.0 109.322 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.529 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 51.6 m-85 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.15 0.5 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.467 ' O ' ' HE1' ' A' ' 15' ' ' MET . 39.1 tt0 -47.32 -37.42 10.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.049 -1.032 . . . . 0.0 109.785 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.7 -14.79 62.59 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.219 -0.926 . . . . 0.0 109.849 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.587 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 8.7 m-30 -87.5 16.96 4.89 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.209 -0.932 . . . . 0.0 109.949 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.467 ' HE1' ' O ' ' A' ' 12' ' ' GLN . 52.8 mtm -85.98 144.3 27.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.272 -0.892 . . . . 0.0 110.465 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.574 ' HB2' ' CD2' ' A' ' 21' ' ' PHE . 2.9 tttp -125.84 96.38 4.74 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.491 -0.756 . . . . 0.0 109.809 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 51.37 48.65 22.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.245 -0.909 . . . . 0.0 109.719 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.99 16.31 77.14 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 16' ' ' LYS . 8.3 tmtt? -129.22 109.4 11.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.259 -1.142 . . . . 0.0 110.236 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.521 HD22 ' N ' ' A' ' 21' ' ' PHE . 2.0 tt -80.62 124.41 28.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.181 -0.95 . . . . 0.0 110.137 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 9.0 p90 -107.01 75.72 1.05 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.216 -0.927 . . . . 0.0 109.971 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.589 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 2.2 t -51.96 -45.4 92.92 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.42 -0.8 . . . . 0.0 111.325 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -61.83 70.36 0.1 Allowed 'Trans proline' 0 C--N 1.318 -1.044 0 O-C-N 122.912 0.954 . . . . 0.0 110.804 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 22' ' ' CYS . 11.5 tt0 -106.91 -74.02 0.67 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.354 -0.841 . . . . 0.0 109.754 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.584 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 50.4 m-20 -146.48 65.38 1.19 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.507 -0.745 . . . . 0.0 109.552 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.53 ' CA ' HD13 ' A' ' 38' ' ' ILE . 83.7 mttt -57.85 -12.16 2.9 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.377 -0.827 . . . . 0.0 110.966 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' LYS . 70.8 mmtt -41.58 -27.1 0.09 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.248 -0.907 . . . . 0.0 110.162 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 15.4 m-85 -52.29 -25.85 10.56 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.227 -0.921 . . . . 0.0 110.015 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CE1' ' CD1' ' A' ' 35' ' ' ILE . 62.4 t80 -41.35 -26.29 0.06 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.404 -0.81 . . . . 0.0 110.519 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 28' ' ' PHE . 36.9 mt-30 -65.36 -7.39 13.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.243 -0.911 . . . . 0.0 110.64 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -130.51 149.96 51.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.118 -0.989 . . . . 0.0 110.275 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.5 tp -47.03 -55.19 8.64 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.202 -0.936 . . . . 0.0 110.174 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -50.72 -38.02 44.94 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.223 -0.923 . . . . 0.0 108.579 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -73.23 -44.3 35.56 Favored Glycine 0 N--CA 1.483 1.795 0 N-CA-C 107.859 -2.096 . . . . 0.0 107.859 178.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.594 ' CD1' ' CE1' ' A' ' 29' ' ' PHE . 1.7 mm -55.35 -36.71 41.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.301 -1.117 . . . . 0.0 108.742 178.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' PHE . 12.8 mmm -74.41 -64.97 0.91 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.629 -0.829 . . . . 0.0 110.015 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -44.96 -50.23 10.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.133 -0.98 . . . . 0.0 109.043 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.614 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 22.2 mm -47.82 -41.44 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.867 -1.146 . . . . 0.0 109.305 178.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 5.5 m120 -71.18 -31.23 67.39 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.526 -0.734 . . . . 0.0 110.011 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HA ' ' HB ' ' A' ' 43' ' ' THR . 16.3 mtpt -84.85 -17.97 36.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.867 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.435 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -55.5 -63.83 1.04 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.107 -0.996 . . . . 0.0 110.199 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.471 ' O ' ' HG2' ' A' ' 46' ' ' MET . . . -75.54 -30.91 59.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 110.217 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.467 ' HB ' ' HA ' ' A' ' 40' ' ' LYS . 98.2 m -69.22 -31.82 70.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.378 -0.826 . . . . 0.0 110.335 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 88.7 m -86.09 -39.89 16.28 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.213 -0.93 . . . . 0.0 109.963 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.458 ' HA ' HD13 ' A' ' 48' ' ' LEU . 11.1 ttmm -55.0 -46.25 75.15 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.191 -0.943 . . . . 0.0 109.729 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -58.9 -31.09 68.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.319 -0.863 . . . . 0.0 110.107 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 43' ' ' THR . 14.6 mm -56.48 -37.94 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.24 -0.912 . . . . 0.0 109.602 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.8 mt . . . . . 0 N--CA 1.488 1.443 0 O-C-N 121.37 -0.831 . . . . 0.0 109.681 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.576 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 7.3 m-85 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.122 0.487 . . . . 0.0 110.2 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.471 ' O ' ' HG2' ' A' ' 15' ' ' MET . 5.7 tp60 -46.23 -28.62 1.32 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.09 -1.006 . . . . 0.0 109.607 179.778 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.22 -23.82 61.29 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.273 -0.892 . . . . 0.0 109.702 179.618 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.589 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 10.5 m-85 -90.39 18.56 6.01 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.317 -0.865 . . . . 0.0 110.142 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.529 ' O ' ' CG ' ' A' ' 15' ' ' MET . 19.6 ptt? -95.99 119.89 35.29 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.172 -0.955 . . . . 0.0 110.299 -179.824 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 84.8 tttt -96.52 89.72 5.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.184 -0.948 . . . . 0.0 110.105 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.438 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 16.7 t-20 64.08 52.48 2.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.24 -0.912 . . . . 0.0 110.23 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.22 -1.54 75.1 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -107.21 102.83 12.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.183 -1.186 . . . . 0.0 110.211 -179.961 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 20' ' ' LEU . 1.5 tm? -82.0 114.92 20.9 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.223 -0.923 . . . . 0.0 110.18 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.589 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 11.6 p90 -97.37 86.72 3.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -0.912 . . . . 0.0 109.849 179.529 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.583 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 2.7 t -50.79 -45.91 86.74 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.336 -0.853 . . . . 0.0 111.183 -179.847 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -62.38 82.11 0.1 Allowed 'Trans proline' 0 C--N 1.318 -1.063 0 O-C-N 122.859 0.926 . . . . 0.0 110.802 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.452 ' O ' ' HB3' ' A' ' 25' ' ' ASP . 12.4 tt0 -129.96 77.59 1.8 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.323 -0.86 . . . . 0.0 109.591 179.481 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 35.2 t0 56.45 54.57 7.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.371 -0.831 . . . . 0.0 109.583 -179.38 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.531 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 75.8 mttt -57.13 -12.41 2.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.428 -0.795 . . . . 0.0 110.888 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 66.2 mmtt -40.69 -26.08 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.283 -0.886 . . . . 0.0 110.439 179.781 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 8.2 m-85 -41.4 -28.11 0.11 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.375 -0.828 . . . . 0.0 109.888 179.735 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CD2' HD12 ' A' ' 35' ' ' ILE . 6.1 t80 -41.95 -25.63 0.07 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.413 -0.805 . . . . 0.0 110.611 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' PHE . 28.5 mt-30 -63.93 -8.9 12.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.237 -0.914 . . . . 0.0 110.584 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 71.1 m -136.66 146.73 46.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.123 -0.986 . . . . 0.0 110.439 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tt -47.06 -57.72 4.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.264 -0.898 . . . . 0.0 110.008 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -51.32 -35.95 40.43 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.407 -0.808 . . . . 0.0 108.858 179.604 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.526 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -73.29 -42.93 40.58 Favored Glycine 0 N--CA 1.485 1.956 0 N-CA-C 108.227 -1.949 . . . . 0.0 108.227 178.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.573 HD12 ' CD2' ' A' ' 29' ' ' PHE . 2.5 mm -59.17 -34.61 54.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.268 -1.137 . . . . 0.0 109.464 179.221 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.459 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 8.5 mtp -62.01 -59.52 4.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.266 -0.896 . . . . 0.0 110.224 179.69 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.655 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.33 -54.18 4.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.23 -0.919 . . . . 0.0 109.538 -179.7 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.655 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 9.8 mt -50.52 -39.1 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.758 -1.214 . . . . 0.0 109.667 179.291 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 36' ' ' MET . 46.4 m-20 -62.43 -38.54 90.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.334 -0.853 . . . . 0.0 109.577 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 44' ' ' CYS . 7.9 mttp -87.65 -18.37 29.75 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.487 -0.758 . . . . 0.0 109.882 179.528 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -56.22 -67.74 0.27 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.303 -0.873 . . . . 0.0 110.172 179.936 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 46' ' ' MET . . . -66.12 -27.83 68.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.248 -0.907 . . . . 0.0 110.476 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.508 ' O ' ' CG ' ' A' ' 46' ' ' MET . 77.6 m -80.14 -18.87 48.6 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.142 -0.974 . . . . 0.0 110.217 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 40' ' ' LYS . 54.1 t -92.3 -51.84 4.96 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.287 -0.883 . . . . 0.0 110.301 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.529 ' HG3' ' N ' ' A' ' 46' ' ' MET . 2.2 ptpt -53.3 -25.99 16.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.201 -0.937 . . . . 0.0 109.931 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.529 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -73.97 -25.43 59.93 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.341 -0.849 . . . . 0.0 109.891 179.867 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.51 ' CD1' ' SD ' ' A' ' 46' ' ' MET . 8.8 mm -71.23 -33.93 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.309 -0.869 . . . . 0.0 109.546 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.464 HD11 ' HB3' ' A' ' 20' ' ' LEU . 1.1 mt . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.478 -0.764 . . . . 0.0 109.843 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.2 mttp . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.246 0.546 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -78.48 150.26 33.0 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.263 -0.898 . . . . 0.0 110.213 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 7' ' ' MET . 94.3 mt-10 -71.93 -5.07 32.01 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.277 -0.89 . . . . 0.0 110.14 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -77.86 1.71 19.58 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.255 -0.903 . . . . 0.0 110.169 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -122.42 -30.35 3.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.241 -0.912 . . . . 0.0 109.886 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.563 ' O ' ' CE1' ' A' ' 9' ' ' HIS . 79.4 mt-10 -136.5 53.87 1.9 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.421 -0.799 . . . . 0.0 109.811 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 6' ' ' GLU . 62.9 mmm -41.55 -39.83 1.68 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.357 -0.839 . . . . 0.0 110.426 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.2 m -91.61 103.57 16.15 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.259 -0.901 . . . . 0.0 110.248 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.563 ' CE1' ' O ' ' A' ' 6' ' ' GLU . 99.6 m-70 -101.59 -48.72 4.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.0 110.234 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -87.88 -37.31 16.6 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.245 -0.909 . . . . 0.0 110.244 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.69 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 61.2 m-85 -69.36 -25.79 64.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.208 -0.933 . . . . 0.0 110.18 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.477 ' O ' ' CG ' ' A' ' 15' ' ' MET . 38.3 tt0 -46.46 -45.54 18.3 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.116 -0.99 . . . . 0.0 109.213 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.89 -18.83 36.64 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.3 -0.875 . . . . 0.0 109.753 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.584 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 15.3 m-30 -87.34 12.04 12.95 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 0.0 110.469 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.538 ' O ' ' CG ' ' A' ' 15' ' ' MET . 7.9 ptt? -98.83 117.95 34.48 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.049 -1.032 . . . . 0.0 110.625 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 17.8 tptm -98.88 85.95 3.39 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.186 -0.946 . . . . 0.0 109.853 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 77.1 m-20 59.39 52.13 6.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.483 -0.76 . . . . 0.0 110.593 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.66 -8.8 78.21 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -99.55 111.61 23.93 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.096 -1.238 . . . . 0.0 110.405 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -95.61 103.56 15.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.175 -0.953 . . . . 0.0 110.138 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.584 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 8.3 p90 -90.73 65.36 5.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.201 -0.937 . . . . 0.0 110.017 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.604 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -50.98 -46.92 87.98 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.448 -0.783 . . . . 0.0 111.48 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.2 Cg_exo -63.82 84.45 0.14 Allowed 'Trans proline' 0 C--N 1.314 -1.258 0 O-C-N 123.19 1.1 . . . . 0.0 110.716 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.523 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 18.0 tt0 -121.7 -83.94 0.66 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.333 -0.854 . . . . 0.0 110.068 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.583 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 10.7 t0 -126.61 70.95 1.27 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.314 -0.866 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 28' ' ' PHE . 58.1 mttt -65.0 -7.03 10.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.202 -0.937 . . . . 0.0 110.77 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' HD2' ' OD1' ' A' ' 25' ' ' ASP . 85.0 mttt -41.83 -27.25 0.11 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.126 -0.983 . . . . 0.0 110.107 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 20.5 m-85 -53.59 -19.49 3.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.253 -0.904 . . . . 0.0 109.867 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CD1' HD12 ' A' ' 35' ' ' ILE . 19.4 t80 -46.93 -24.17 0.56 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.343 -0.848 . . . . 0.0 110.078 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.76 -5.0 18.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.381 -0.824 . . . . 0.0 110.46 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.7 m -130.08 165.12 22.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.127 -0.983 . . . . 0.0 110.222 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 tt -64.58 -50.76 65.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.252 -0.905 . . . . 0.0 110.154 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -55.2 -39.59 69.79 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.367 -0.833 . . . . 0.0 109.118 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.464 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.04 -48.75 45.44 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 108.241 -1.944 . . . . 0.0 108.241 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.577 HD12 ' CD1' ' A' ' 29' ' ' PHE . 4.0 mm -55.06 -35.38 34.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.297 -1.119 . . . . 0.0 109.037 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.477 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 26.6 mmm -74.06 -65.13 0.88 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.44 -0.787 . . . . 0.0 109.996 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -46.06 -50.53 15.06 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.123 -0.986 . . . . 0.0 108.844 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.615 ' CG1' ' CE1' ' A' ' 37' ' ' PHE . 6.8 mt -51.44 -39.43 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.115 -0.99 . . . . 0.0 109.477 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 98.3 m-20 -67.2 -35.91 80.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -0.86 . . . . 0.0 109.237 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -83.63 -14.56 51.67 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.53 -0.731 . . . . 0.0 109.433 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 8.1 t -65.26 -71.61 0.18 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.425 -0.797 . . . . 0.0 109.645 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.32 -30.33 4.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.522 -0.736 . . . . 0.0 109.823 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 46' ' ' MET . 91.9 m -80.05 -53.57 6.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.298 -0.876 . . . . 0.0 109.654 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.463 ' O ' HD21 ' A' ' 48' ' ' LEU . 12.8 t -52.19 -26.12 10.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.277 -0.889 . . . . 0.0 109.878 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 28.7 tttt -67.74 -48.3 66.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.332 -0.855 . . . . 0.0 110.061 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.546 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -63.68 -22.65 67.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.247 -0.908 . . . . 0.0 109.901 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.546 ' N ' ' HG3' ' A' ' 46' ' ' MET . 34.8 mm -60.19 -38.13 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.378 -0.826 . . . . 0.0 109.552 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.5 mm? -74.46 -39.93 62.22 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.381 -0.824 . . . . 0.0 109.864 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -56.53 -25.73 52.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.337 -0.852 . . . . 0.0 110.118 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -67.02 -34.52 77.91 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.278 -0.889 . . . . 0.0 110.261 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' OE1' HD11 ' A' ' 48' ' ' LEU . 52.8 mt-10 -65.66 -23.99 66.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.311 -0.868 . . . . 0.0 110.139 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.58 -22.69 61.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.298 -0.876 . . . . 0.0 110.176 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -80.71 -24.04 39.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.184 -0.947 . . . . 0.0 110.244 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.2 m -75.57 -20.69 58.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.22 -0.925 . . . . 0.0 110.209 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.424 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 13.9 pt20 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.226 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 1' ' ' LYS . 17.6 ptpt . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.203 0.525 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.505 ' ND2' ' HB2' ' A' ' 4' ' ' ASP . 58.9 t30 -94.35 122.59 37.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.302 -0.873 . . . . 0.0 110.202 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.425 ' OE2' ' HB3' ' A' ' 51' ' ' GLU . 92.8 mt-10 -55.28 -20.28 10.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.265 -0.897 . . . . 0.0 110.196 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.505 ' HB2' ' ND2' ' A' ' 2' ' ' ASN . 55.4 m-20 -80.26 5.36 14.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.242 -0.911 . . . . 0.0 110.123 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -116.37 -30.02 6.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.282 -0.886 . . . . 0.0 109.38 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.463 ' O ' ' O ' ' A' ' 7' ' ' MET . 96.4 mt-10 -125.32 24.71 7.31 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.604 -0.685 . . . . 0.0 109.306 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.463 ' O ' ' O ' ' A' ' 6' ' ' GLU . 14.9 ptt? -41.6 165.4 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.548 -0.72 . . . . 0.0 110.443 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.8 t -145.26 96.05 2.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.271 -0.893 . . . . 0.0 110.139 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -86.73 -16.38 36.59 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.307 -0.87 . . . . 0.0 110.122 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.33 -32.98 74.72 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.162 -0.961 . . . . 0.0 110.266 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 41' ' ' CYS . 39.5 m-85 -96.6 -16.67 20.9 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.279 -0.888 . . . . 0.0 110.356 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' A' ' 15' ' ' MET . 7.9 tt0 -46.57 -26.18 0.84 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.028 -1.045 . . . . 0.0 109.783 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.84 -22.39 59.79 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.248 -0.908 . . . . 0.0 109.767 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.588 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 13.5 m-85 -90.32 17.81 6.79 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.303 -0.873 . . . . 0.0 110.278 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.542 ' O ' ' CG ' ' A' ' 15' ' ' MET . 21.3 ptm -98.95 118.22 35.24 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.096 -1.002 . . . . 0.0 110.562 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 10.9 tttt -96.89 85.46 3.78 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.193 -0.942 . . . . 0.0 109.9 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 75.4 m-20 59.04 53.97 5.24 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.405 -0.809 . . . . 0.0 110.658 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.46 -16.29 58.1 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.515 ' HD3' ' N ' ' A' ' 20' ' ' LEU . 1.7 tmtp? -92.73 129.64 38.59 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.097 -1.237 . . . . 0.0 110.094 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.515 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 1.2 tt -109.01 110.18 21.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.136 -0.977 . . . . 0.0 110.379 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.588 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 11.0 p90 -96.9 63.53 1.96 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.234 -0.916 . . . . 0.0 109.861 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.61 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.6 OUTLIER -51.53 -45.89 90.73 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.482 -0.761 . . . . 0.0 111.548 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.0 Cg_exo -65.3 79.09 0.23 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.171 1.09 . . . . 0.0 111.201 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 22' ' ' CYS . 5.5 pt20 -122.19 -112.96 0.32 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.129 -0.982 . . . . 0.0 109.461 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 20.0 t70 -93.29 69.3 4.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.869 -1.145 . . . . 0.0 109.73 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 28' ' ' PHE . 15.6 mtpt -68.0 -3.71 10.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.275 -0.891 . . . . 0.0 110.839 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LYS . 58.6 mttp -42.69 -26.34 0.12 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.161 -0.962 . . . . 0.0 110.236 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 24.7 m-85 -46.35 -23.86 0.41 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.254 -0.904 . . . . 0.0 110.316 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.518 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 18.2 t80 -42.5 -25.0 0.07 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.211 -0.93 . . . . 0.0 110.78 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' PHE . 20.3 pt20 -72.14 0.13 10.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.176 -0.953 . . . . 0.0 110.738 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -137.06 158.83 43.56 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.1 -1.0 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.69 -52.04 66.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 110.181 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -53.51 -35.65 60.89 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.288 -0.882 . . . . 0.0 109.11 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.472 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -70.84 -52.08 16.5 Favored Glycine 0 N--CA 1.486 2.015 0 N-CA-C 108.292 -1.923 . . . . 0.0 108.292 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.503 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 3.7 mm -53.63 -31.45 19.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 O-C-N 121.206 -1.173 . . . . 0.0 108.986 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.458 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 7.3 mmt -74.37 -66.51 0.72 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.361 -0.837 . . . . 0.0 110.025 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.622 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.65 -49.71 14.12 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.029 -1.044 . . . . 0.0 108.994 179.777 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.622 ' CG1' ' CE1' ' A' ' 37' ' ' PHE . 9.3 mt -51.91 -37.57 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.072 -1.018 . . . . 0.0 109.554 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 98.8 m-20 -70.15 -37.76 75.33 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.347 -0.846 . . . . 0.0 109.684 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.458 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 39.9 mttt -83.51 -17.87 40.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.516 -0.74 . . . . 0.0 109.398 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.573 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 42.8 t -50.14 -68.07 0.2 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.497 -0.752 . . . . 0.0 110.157 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.75 74.56 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.453 -0.779 . . . . 0.0 110.388 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 46' ' ' MET . 98.4 m -69.36 -37.66 77.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.237 -0.915 . . . . 0.0 110.071 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 40' ' ' LYS . 97.7 m -76.69 -29.68 56.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.265 -0.897 . . . . 0.0 109.728 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 31.3 tttt -62.81 -44.26 96.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.331 -0.855 . . . . 0.0 109.939 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.525 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -63.9 -25.17 68.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.278 -0.888 . . . . 0.0 109.89 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.514 ' N ' ' HG3' ' A' ' 46' ' ' MET . 20.7 mm -57.16 -42.38 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.385 -0.822 . . . . 0.0 109.768 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? -70.06 -39.5 75.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.311 -0.868 . . . . 0.0 109.944 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.88 -28.72 70.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.289 -0.882 . . . . 0.0 110.102 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 46' ' ' MET . 78.4 mttt -59.4 -49.66 76.94 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.264 -0.897 . . . . 0.0 110.163 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 2.0 pt-20 -69.28 -19.6 63.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.26 -0.9 . . . . 0.0 110.2 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.462 ' N ' ' HG3' ' A' ' 51' ' ' GLU . . . -67.28 -17.69 64.89 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.242 -0.911 . . . . 0.0 110.258 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -82.12 -38.04 25.36 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.259 -0.901 . . . . 0.0 110.175 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.9 p -66.07 -17.1 64.48 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.299 -0.876 . . . . 0.0 110.195 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.185 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 95.7 mttt . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.284 0.564 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -91.14 122.9 34.18 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.203 -0.935 . . . . 0.0 110.117 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -68.24 -8.29 37.9 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.189 -0.944 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 5' ' ' GLN . 11.2 t0 -88.91 -29.91 19.25 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -0.912 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.493 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 2.0 tt0 69.86 -71.64 0.12 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.236 -0.915 . . . . 0.0 109.789 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.507 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 73.9 mm-40 -69.04 59.73 0.1 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.408 -0.808 . . . . 0.0 109.756 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 6' ' ' GLU . 95.3 mtp -41.75 -28.54 0.15 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.377 -0.827 . . . . 0.0 110.432 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 11' ' ' PHE . 20.9 t -96.96 119.84 36.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.221 -0.925 . . . . 0.0 110.383 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.507 ' NE2' ' O ' ' A' ' 6' ' ' GLU . 48.7 m80 -121.92 -22.07 5.84 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.267 -0.896 . . . . 0.0 110.275 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -65.81 -43.82 87.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.176 -0.952 . . . . 0.0 110.175 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.583 ' CE2' ' HA ' ' A' ' 41' ' ' CYS . 59.9 m-85 -82.97 -19.06 37.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.204 -0.935 . . . . 0.0 110.156 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 15' ' ' MET . 61.0 tt0 -46.45 -39.48 10.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.146 -0.971 . . . . 0.0 109.453 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.52 -20.25 64.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.396 -0.815 . . . . 0.0 109.762 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.583 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 7.1 m-30 -92.6 17.62 9.91 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.337 -0.852 . . . . 0.0 110.46 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.551 ' O ' ' CG ' ' A' ' 15' ' ' MET . 21.2 ptm -99.05 115.9 30.05 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.012 -1.055 . . . . 0.0 110.794 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -95.98 87.62 4.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.193 -0.942 . . . . 0.0 109.782 179.584 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 76.2 m-20 58.4 51.88 7.77 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.89 . . . . 0.0 110.285 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.13 -11.56 66.99 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.49 ' C ' ' CD ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -95.71 111.25 23.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.022 -1.281 . . . . 0.0 110.297 -179.83 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 tt -93.27 114.77 27.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.098 -1.001 . . . . 0.0 110.227 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.583 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 7.4 p90 -99.11 69.27 1.72 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.141 -0.974 . . . . 0.0 110.04 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.586 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -48.75 -48.89 69.12 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.517 -0.74 . . . . 0.0 111.45 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.4 Cg_exo -61.99 83.12 0.1 OUTLIER 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.247 1.13 . . . . 0.0 110.784 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.496 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 13.1 tt0 -126.56 -77.11 0.58 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.455 -0.778 . . . . 0.0 109.867 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.586 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 29.8 t0 -136.28 76.91 1.63 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.364 -0.835 . . . . 0.0 110.041 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.584 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 30.8 mtpt -68.84 -2.71 10.2 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.199 -0.938 . . . . 0.0 110.826 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 26' ' ' LYS . 71.4 mttt -41.69 -27.98 0.13 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.151 -0.968 . . . . 0.0 110.188 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 22.9 m-85 -48.77 -21.57 0.65 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.412 -0.805 . . . . 0.0 110.381 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CD2' HD12 ' A' ' 35' ' ' ILE . 9.7 t80 -53.02 -18.17 1.87 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.224 -0.922 . . . . 0.0 110.498 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -68.74 -4.34 15.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.15 -0.969 . . . . 0.0 110.877 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 35' ' ' ILE . 34.5 m -144.45 160.69 40.66 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.024 -1.048 . . . . 0.0 110.557 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.78 -59.83 4.76 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.276 -0.89 . . . . 0.0 109.851 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -50.95 -37.43 44.37 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.567 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.75 -39.6 54.97 Favored Glycine 0 N--CA 1.483 1.801 0 N-CA-C 108.161 -1.976 . . . . 0.0 108.161 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.578 HD12 ' CD2' ' A' ' 29' ' ' PHE . 2.0 mm -59.64 -36.3 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.496 -1.002 . . . . 0.0 109.601 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' PHE . 33.8 mmt -54.07 -55.75 24.53 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.321 -0.862 . . . . 0.0 110.349 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.632 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.86 -52.72 6.58 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.174 -0.953 . . . . 0.0 109.727 -179.758 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.632 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 7.6 mt -51.24 -36.89 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.806 -1.184 . . . . 0.0 109.85 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.02 -31.69 69.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 109.857 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 44' ' ' CYS . 53.5 mttt -95.49 -15.09 23.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.321 -0.862 . . . . 0.0 109.869 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.583 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 17.9 t -54.33 -71.8 0.07 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.405 -0.809 . . . . 0.0 110.165 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -61.91 -34.0 75.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.417 -0.802 . . . . 0.0 110.158 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.522 ' O ' ' CG ' ' A' ' 46' ' ' MET . 34.2 m -67.55 -58.29 4.96 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.222 -0.923 . . . . 0.0 109.932 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.461 ' HA ' HG13 ' A' ' 47' ' ' ILE . 42.0 t -52.38 -27.71 16.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.189 -0.944 . . . . 0.0 109.926 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 44.0 tttt -64.71 -49.05 72.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.156 -0.965 . . . . 0.0 109.936 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.553 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -64.06 -23.33 67.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.265 -0.897 . . . . 0.0 109.97 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.553 ' N ' ' HG3' ' A' ' 46' ' ' MET . 48.7 mm -57.35 -39.96 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.248 -0.908 . . . . 0.0 109.628 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -73.22 -39.91 65.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.346 -0.846 . . . . 0.0 109.678 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -64.47 -22.85 67.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.314 -0.867 . . . . 0.0 109.883 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -75.56 -41.17 55.52 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.353 -0.842 . . . . 0.0 110.099 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -59.29 -26.34 64.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.297 -0.877 . . . . 0.0 110.124 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -79.47 130.08 35.07 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.317 -0.864 . . . . 0.0 110.187 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 94.4 mttt 56.96 40.93 28.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.219 -0.926 . . . . 0.0 110.205 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 t -63.99 -17.16 63.04 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.329 -0.857 . . . . 0.0 110.206 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.208 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.325 0.583 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -93.17 132.28 37.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.265 -0.897 . . . . 0.0 110.301 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 7' ' ' MET . 52.1 mt-10 -60.47 -26.03 66.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.334 -0.854 . . . . 0.0 110.143 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -65.46 -17.46 64.57 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.219 -0.925 . . . . 0.0 110.155 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.43 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . 49.5 mm-40 -85.71 -46.21 10.93 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.263 -0.898 . . . . 0.0 109.552 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 7' ' ' MET . 14.1 mp0 -89.82 -10.12 46.62 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.545 -0.722 . . . . 0.0 109.411 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 3' ' ' GLU . 48.9 mtm 58.81 -142.99 0.63 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.492 -0.755 . . . . 0.0 110.349 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 62.7 m -101.14 116.14 32.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.333 -0.854 . . . . 0.0 110.358 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.583 ' CD2' ' NZ ' ' A' ' 40' ' ' LYS . 28.9 p80 -107.42 -24.67 11.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.25 -0.906 . . . . 0.0 109.938 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 9' ' ' HIS . 32.4 tt0 -96.25 -42.76 8.02 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.284 -0.885 . . . . 0.0 110.082 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 41' ' ' CYS . 44.0 m-85 -78.54 -18.33 54.87 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 110.148 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.456 ' O ' ' HG3' ' A' ' 15' ' ' MET . 12.7 tt0 -47.44 -39.78 16.44 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.103 -0.998 . . . . 0.0 109.681 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.02 -16.79 62.43 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.298 -0.877 . . . . 0.0 109.646 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.586 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 18.1 m-30 -86.43 14.12 7.21 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.387 -0.82 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 85.9 mtp -88.96 102.98 15.61 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.229 -0.919 . . . . 0.0 110.455 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' O ' ' HB3' ' A' ' 19' ' ' LYS . 38.9 ttmt -98.5 103.84 15.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.472 -0.768 . . . . 0.0 110.075 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 57.83 56.02 5.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 0.0 110.043 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.81 24.33 69.8 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 1.3 tmtp? -129.31 108.85 10.63 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.313 -1.11 . . . . 0.0 110.251 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.491 ' C ' ' CD2' ' A' ' 20' ' ' LEU . 1.2 tt -83.54 105.83 14.79 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.255 -0.903 . . . . 0.0 110.082 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.586 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 26.6 p90 -91.46 71.88 6.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.019 -1.051 . . . . 0.0 109.982 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.582 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -49.66 -47.39 78.9 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.396 -0.815 . . . . 0.0 111.457 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.4 Cg_exo -62.35 73.86 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.185 0 O-C-N 123.094 1.05 . . . . 0.0 110.837 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 22' ' ' CYS . 10.6 tt0 -101.18 -52.72 3.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.415 -0.803 . . . . 0.0 109.722 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 53.6 t0 -165.03 64.67 0.13 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.474 -0.767 . . . . 0.0 109.861 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' PHE . 92.2 mttt -55.16 -15.04 1.94 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.368 -0.833 . . . . 0.0 110.899 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 96.8 mttt -41.32 -26.75 0.06 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.219 -0.925 . . . . 0.0 110.396 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 14.9 m-85 -53.61 -18.46 2.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 0.0 110.202 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.576 ' CG ' HD12 ' A' ' 35' ' ' ILE . 15.4 t80 -41.89 -26.24 0.08 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.28 -0.888 . . . . 0.0 110.444 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' PHE . 25.4 pt20 -66.97 -5.8 14.24 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.293 -0.879 . . . . 0.0 110.726 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.7 m -132.33 153.26 50.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.061 -1.025 . . . . 0.0 110.402 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.7 tt -53.28 -45.66 68.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.129 -0.982 . . . . 0.0 110.027 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -57.38 -39.75 76.73 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.344 -0.847 . . . . 0.0 109.133 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.483 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -70.21 -48.04 41.11 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 108.179 -1.968 . . . . 0.0 108.179 178.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.576 HD12 ' CG ' ' A' ' 29' ' ' PHE . 5.1 mm -56.08 -33.88 37.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 121.358 -1.083 . . . . 0.0 109.299 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.455 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 4.7 mtp -72.52 -64.17 1.01 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.389 -0.82 . . . . 0.0 110.008 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.645 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -50.05 -49.37 51.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.053 -1.029 . . . . 0.0 109.073 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.645 ' CG1' ' CE1' ' A' ' 37' ' ' PHE . 6.9 mt -53.65 -35.35 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.049 -1.032 . . . . 0.0 109.487 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 92.5 m-20 -72.51 -38.93 67.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.469 -0.769 . . . . 0.0 109.916 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.583 ' NZ ' ' CD2' ' A' ' 9' ' ' HIS . 24.4 tttt -82.79 -22.18 34.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.498 -0.751 . . . . 0.0 109.76 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 8.5 t -54.66 -72.44 0.06 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.382 -0.824 . . . . 0.0 109.941 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.06 -31.04 17.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 0.0 109.918 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 46' ' ' MET . 95.1 m -80.1 -22.53 42.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.502 -0.749 . . . . 0.0 109.817 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.52 ' N ' ' O ' ' A' ' 40' ' ' LYS . 13.4 t -81.62 -42.35 20.15 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.311 -0.868 . . . . 0.0 109.543 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -54.53 -40.23 68.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.407 -0.808 . . . . 0.0 109.634 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.539 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -65.01 -23.63 67.27 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.205 -0.934 . . . . 0.0 109.858 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.539 ' N ' ' HG3' ' A' ' 46' ' ' MET . 27.3 mm -61.35 -37.28 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.35 -0.844 . . . . 0.0 109.562 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? -71.8 -38.82 70.18 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.415 -0.803 . . . . 0.0 109.679 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.11 -24.67 66.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.39 -0.819 . . . . 0.0 110.058 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' HD3' ' OE1' ' A' ' 55' ' ' GLN . 25.3 mmtp -75.94 -46.98 27.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.32 -0.863 . . . . 0.0 110.175 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -53.45 -26.78 21.63 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.295 -0.878 . . . . 0.0 110.113 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.07 142.46 34.87 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.293 -0.879 . . . . 0.0 110.156 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -58.25 -17.33 18.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.219 -0.926 . . . . 0.0 110.24 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.455 ' O ' ' O ' ' A' ' 55' ' ' GLN . 65.3 m -63.06 -24.05 67.73 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.186 -0.946 . . . . 0.0 110.222 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.455 ' O ' ' O ' ' A' ' 54' ' ' SER . 4.7 tp60 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.193 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.27 0.557 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -85.38 129.84 34.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.228 -0.92 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -78.56 -12.0 59.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.285 -0.884 . . . . 0.0 110.083 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -152.61 84.9 1.24 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.289 -0.882 . . . . 0.0 110.075 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 6' ' ' GLU . 58.7 tt0 -133.18 73.03 1.5 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.204 -0.935 . . . . 0.0 110.333 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 40.7 mt-10 61.03 23.32 13.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.206 -0.934 . . . . 0.0 110.332 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 97.9 mtp -86.37 142.42 28.48 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.294 -0.879 . . . . 0.0 110.112 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.5 t -120.79 131.72 54.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.183 -0.948 . . . . 0.0 110.269 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -126.27 -9.26 6.41 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.264 -0.897 . . . . 0.0 110.33 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.588 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 17.6 pt-20 -79.79 -38.64 32.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.177 -0.952 . . . . 0.0 110.243 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.588 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 42.5 m-85 -82.31 -19.45 39.38 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.05 -1.031 . . . . 0.0 109.752 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.514 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 52.0 tt0 -46.41 -43.95 16.81 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.27 -0.894 . . . . 0.0 109.336 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.87 -20.7 38.53 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.348 -0.845 . . . . 0.0 109.537 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.593 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 9.3 m-30 -90.55 18.05 6.75 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.289 -0.882 . . . . 0.0 110.168 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.535 ' O ' ' CG ' ' A' ' 15' ' ' MET . 8.1 ptt? -100.09 118.39 36.35 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.202 -0.936 . . . . 0.0 110.496 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 16.8 tppt? -96.56 81.25 3.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.172 -0.955 . . . . 0.0 109.956 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 11.4 t-20 66.88 52.9 0.88 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 110.048 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.57 -16.56 44.64 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -93.17 104.07 16.29 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.17 -1.194 . . . . 0.0 110.398 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 15' ' ' MET . 2.2 tt -81.95 113.67 20.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.295 -0.878 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.593 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 7.5 p90 -97.71 70.31 2.19 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.219 -0.926 . . . . 0.0 109.971 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.584 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -48.7 -49.01 68.32 Favored Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.437 -0.789 . . . . 0.0 111.266 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.43 82.69 0.1 Allowed 'Trans proline' 0 C--N 1.314 -1.268 0 O-C-N 123.311 1.163 . . . . 0.0 110.791 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.479 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 11.6 tt0 -125.63 -76.48 0.59 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.506 -0.746 . . . . 0.0 109.741 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.573 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 19.8 t0 -136.03 78.21 1.7 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.4 -0.813 . . . . 0.0 109.887 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 35.8 mttt -68.94 -2.58 10.11 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.27 -0.894 . . . . 0.0 110.76 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LYS . 71.7 mttt -41.33 -27.23 0.08 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.171 -0.956 . . . . 0.0 110.322 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 25.7 m-85 -48.49 -21.33 0.54 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.312 -0.868 . . . . 0.0 110.533 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.646 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 9.3 t80 -55.86 -16.47 4.62 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.216 -0.927 . . . . 0.0 110.392 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -61.89 -11.0 10.79 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.207 -0.933 . . . . 0.0 110.975 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' ILE . 8.4 p -147.32 165.7 29.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.01 -1.056 . . . . 0.0 110.744 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.41 -54.93 33.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.436 -0.79 . . . . 0.0 110.172 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -54.7 -39.1 67.81 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.282 -0.886 . . . . 0.0 108.991 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.549 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -73.87 -35.45 54.37 Favored Glycine 0 N--CA 1.484 1.893 0 N-CA-C 108.184 -1.966 . . . . 0.0 108.184 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.646 ' CD1' ' CD2' ' A' ' 29' ' ' PHE . 1.1 mm -64.01 -36.58 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.567 -0.961 . . . . 0.0 109.582 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.8 mtp -49.83 -52.4 32.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.271 -0.893 . . . . 0.0 110.489 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.635 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.72 -49.52 14.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.194 -0.941 . . . . 0.0 109.731 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.635 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 16.5 mt -50.1 -38.38 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.95 -1.094 . . . . 0.0 109.825 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -72.86 -26.11 61.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.384 -0.822 . . . . 0.0 109.66 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.52 ' CD ' ' OE2' ' A' ' 10' ' ' GLU . 46.7 mttt -96.91 -12.22 23.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.492 -0.755 . . . . 0.0 109.763 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.584 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 8.7 t -60.61 -73.48 0.09 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.28 -0.888 . . . . 0.0 109.881 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -55.67 -32.06 62.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.473 -0.767 . . . . 0.0 110.026 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.54 ' O ' ' CG ' ' A' ' 46' ' ' MET . 18.7 m -72.82 -56.64 4.93 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 0.0 109.721 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.484 ' SG ' ' CD1' ' A' ' 11' ' ' PHE . 50.4 m -49.51 -23.89 1.81 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.104 -0.998 . . . . 0.0 109.645 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 38.5 tttt -69.59 -51.52 34.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.461 -0.774 . . . . 0.0 110.08 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -59.19 -26.08 64.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.097 -1.002 . . . . 0.0 109.712 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.539 ' N ' ' HG3' ' A' ' 46' ' ' MET . 24.0 mm -57.75 -38.86 67.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.362 -0.836 . . . . 0.0 109.459 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.6 mm? -69.63 -41.78 75.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.339 -0.85 . . . . 0.0 109.519 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -79.1 -16.7 56.36 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.324 -0.86 . . . . 0.0 109.525 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HD3' ' O ' ' A' ' 50' ' ' LYS . 9.8 tmtt? -66.92 -38.25 85.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.432 -0.792 . . . . 0.0 110.071 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.97 -29.48 69.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.27 -0.894 . . . . 0.0 110.145 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.95 -26.71 39.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.317 -0.864 . . . . 0.0 110.283 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -72.5 -28.16 62.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.297 -0.877 . . . . 0.0 110.236 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -73.06 -15.56 61.5 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.29 -0.881 . . . . 0.0 110.213 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.44 ' HA ' ' OE1' ' A' ' 55' ' ' GLN . 10.1 mm100 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.24 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.222 0.534 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -94.43 143.6 26.27 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.23 -0.919 . . . . 0.0 110.23 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -76.56 -17.61 59.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.177 -0.952 . . . . 0.0 110.312 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 46.2 24.78 0.29 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.221 -0.924 . . . . 0.0 110.064 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -123.03 -13.33 7.82 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.235 -0.916 . . . . 0.0 109.749 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' MET . 18.8 pt-20 -144.19 25.62 1.55 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.539 -0.726 . . . . 0.0 109.072 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' GLU . 77.5 mtp -40.95 -45.42 2.56 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.584 -0.698 . . . . 0.0 110.367 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.6 t -87.9 124.7 33.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.299 -0.876 . . . . 0.0 110.327 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -109.64 -14.88 14.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.308 -0.87 . . . . 0.0 110.152 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -66.27 -42.99 87.69 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.273 -0.892 . . . . 0.0 110.3 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 41' ' ' CYS . 44.3 m-85 -91.73 -14.95 29.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 110.403 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.454 ' O ' ' HE1' ' A' ' 15' ' ' MET . 41.4 tt0 -46.28 -25.67 0.67 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.174 -0.954 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.94 -20.39 45.76 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.898 . . . . 0.0 110.248 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.593 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 6.8 m-30 -88.01 18.74 4.01 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.194 -0.941 . . . . 0.0 110.079 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.454 ' HE1' ' O ' ' A' ' 12' ' ' GLN . 41.3 mtm -82.07 144.31 30.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.4 -0.812 . . . . 0.0 110.36 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 19' ' ' LYS . 4.0 tttt -127.52 90.99 3.21 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.394 -0.816 . . . . 0.0 109.722 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 79.5 m-20 56.04 49.87 14.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.351 -0.843 . . . . 0.0 109.727 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.77 10.43 85.14 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 16' ' ' LYS . 7.7 tmtt? -121.86 106.84 11.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.257 -1.143 . . . . 0.0 110.35 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.524 ' CD2' ' HA ' ' A' ' 45' ' ' LYS . 11.9 tp -86.61 117.03 25.11 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.345 -0.847 . . . . 0.0 110.032 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.593 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 8.7 p90 -95.57 85.23 4.13 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.072 -1.018 . . . . 0.0 110.067 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.7 OUTLIER -52.16 -46.37 93.66 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.382 -0.824 . . . . 0.0 111.368 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.05 83.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 122.933 0.965 . . . . 0.0 110.875 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.503 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 15.8 tt0 -112.38 -79.61 0.58 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.337 -0.852 . . . . 0.0 110.038 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.584 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 50.6 t0 -144.63 66.21 1.27 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.29 -0.881 . . . . 0.0 109.963 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' PHE . 35.9 mtpt -56.53 -14.17 2.92 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.258 -0.901 . . . . 0.0 110.904 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 96.8 mttt -41.79 -26.45 0.08 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.122 -0.986 . . . . 0.0 110.429 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 18.0 m-85 -55.55 -16.69 4.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.212 -0.93 . . . . 0.0 110.321 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.574 ' CD2' HD12 ' A' ' 35' ' ' ILE . 6.1 t80 -41.89 -26.49 0.09 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.151 -0.968 . . . . 0.0 110.365 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' PHE . 23.1 pt20 -66.63 -5.41 11.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.35 -0.844 . . . . 0.0 110.716 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.9 p -132.43 153.95 50.33 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.057 -1.027 . . . . 0.0 110.042 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tt -52.1 -50.44 61.63 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.16 -0.962 . . . . 0.0 110.096 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -53.86 -37.29 63.52 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.365 -0.835 . . . . 0.0 109.11 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.476 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -70.8 -49.97 26.64 Favored Glycine 0 N--CA 1.484 1.875 0 N-CA-C 108.253 -1.939 . . . . 0.0 108.253 179.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.574 HD12 ' CD2' ' A' ' 29' ' ' PHE . 1.6 mm -55.24 -32.98 29.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.313 -1.11 . . . . 0.0 109.233 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.469 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 30.6 mmm -78.21 -64.16 1.23 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.867 . . . . 0.0 110.079 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.98 -49.57 15.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.093 -1.004 . . . . 0.0 109.157 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.61 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 6.6 mt -51.28 -38.66 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.082 -1.011 . . . . 0.0 109.533 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 72.7 m-20 -70.26 -34.52 72.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.364 -0.835 . . . . 0.0 109.856 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HA ' ' HB ' ' A' ' 43' ' ' THR . 31.9 mtpt -82.07 -20.01 39.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.487 -0.758 . . . . 0.0 110.141 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.57 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 2.7 t -48.53 -64.75 0.71 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.241 -0.912 . . . . 0.0 110.022 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.46 -32.37 73.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 0.0 110.098 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.529 ' O ' ' CG ' ' A' ' 46' ' ' MET . 29.3 m -65.9 -58.4 5.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.263 -0.898 . . . . 0.0 110.163 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.464 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 74.0 m -55.6 -34.65 65.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.128 -0.982 . . . . 0.0 110.147 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.524 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 30.4 tttt -58.51 -51.19 70.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.294 -0.879 . . . . 0.0 110.587 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.548 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -59.16 -23.7 62.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.149 -0.969 . . . . 0.0 110.365 -179.704 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.548 ' N ' ' HG3' ' A' ' 46' ' ' MET . 24.6 mm -60.03 -36.19 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.259 -0.901 . . . . 0.0 109.827 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.578 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -77.36 -39.67 46.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.343 -0.848 . . . . 0.0 109.971 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' OE2' ' HE2' ' A' ' 45' ' ' LYS . 84.1 mt-10 -58.34 -25.38 61.87 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.418 -0.801 . . . . 0.0 110.14 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -72.85 -37.42 67.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.239 -0.913 . . . . 0.0 110.13 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -65.38 -29.76 70.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.3 -0.875 . . . . 0.0 110.103 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 53' ' ' LYS . . . -79.96 -22.53 42.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.33 -0.856 . . . . 0.0 110.128 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' ALA . 51.1 mtmt 42.48 47.29 4.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.284 -0.885 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.1 p -72.47 -19.18 61.6 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.272 -0.892 . . . . 0.0 110.171 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.195 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.297 0.57 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -82.56 160.31 22.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.225 -0.922 . . . . 0.0 110.229 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -67.35 -25.14 65.85 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.248 -0.908 . . . . 0.0 110.2 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -73.6 -18.22 61.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.263 -0.898 . . . . 0.0 110.136 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.455 ' O ' ' HB2' ' A' ' 6' ' ' GLU . 38.9 tt0 -76.68 90.86 3.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.273 -0.892 . . . . 0.0 110.181 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 38.5 mt-10 62.4 40.07 11.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.205 -0.934 . . . . 0.0 110.149 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' GLU . 29.4 ttm -42.78 -31.73 0.52 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.171 -0.956 . . . . 0.0 110.179 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 98.2 m -85.75 129.31 34.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.237 -0.915 . . . . 0.0 110.21 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -135.8 -39.39 0.71 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.253 -0.905 . . . . 0.0 110.298 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' OE1' ' HB2' ' A' ' 37' ' ' PHE . 12.3 pt-20 -93.14 -31.22 14.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.183 -0.948 . . . . 0.0 110.308 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.585 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 83.9 m-85 -75.72 -22.79 56.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.219 -0.926 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 15' ' ' MET . 60.3 tt0 -45.51 -47.25 14.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.154 -0.966 . . . . 0.0 109.648 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.6 -18.83 22.04 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.307 -0.871 . . . . 0.0 109.772 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.605 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 5.7 m-30 -92.14 13.54 18.68 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.293 -0.879 . . . . 0.0 110.504 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.543 ' O ' ' CG ' ' A' ' 15' ' ' MET . 19.8 ptm -97.65 117.51 32.09 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.037 -1.039 . . . . 0.0 110.72 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 8.8 tttt -97.45 87.88 4.24 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.253 -0.904 . . . . 0.0 109.833 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 77.2 m-20 59.87 51.59 5.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.527 -0.733 . . . . 0.0 110.714 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.4 -15.84 60.35 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.501 ' C ' ' CD ' ' A' ' 19' ' ' LYS . 2.2 tmtm? -98.02 113.72 25.66 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.957 -1.319 . . . . 0.0 110.515 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 21' ' ' PHE . 2.2 tt -96.04 124.34 40.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.111 -0.993 . . . . 0.0 110.156 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 3.8 p90 -103.48 73.58 1.21 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.148 -0.97 . . . . 0.0 109.959 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.584 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -47.28 -49.72 51.45 Favored Pre-proline 0 N--CA 1.493 1.703 0 O-C-N 121.51 -0.744 . . . . 0.0 111.46 -179.806 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.4 Cg_exo -61.56 82.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.272 1.143 . . . . 0.0 110.822 -179.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.493 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 11.4 tt0 -126.02 -78.35 0.59 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.465 -0.772 . . . . 0.0 109.77 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.573 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 3.5 t70 -133.32 77.81 1.75 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.456 -0.777 . . . . 0.0 109.971 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 39.3 mttt -68.84 -2.21 9.0 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.357 -0.839 . . . . 0.0 110.851 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' LYS . 70.8 mmtt -41.79 -27.23 0.1 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.149 -0.969 . . . . 0.0 110.291 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 25.2 m-85 -50.15 -21.27 1.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.202 -0.936 . . . . 0.0 110.138 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 6.4 t80 -56.49 -16.46 5.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.277 -0.889 . . . . 0.0 110.11 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -66.15 -6.9 14.9 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.253 -0.904 . . . . 0.0 110.865 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.481 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 11.0 p -147.49 165.63 29.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.035 -1.04 . . . . 0.0 110.682 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tt -66.31 -55.15 17.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.349 -0.844 . . . . 0.0 110.068 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -56.03 -41.94 75.74 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.34 -0.85 . . . . 0.0 109.053 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.527 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.87 -32.75 60.71 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 108.255 -1.938 . . . . 0.0 108.255 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.585 HD13 ' CD2' ' A' ' 29' ' ' PHE . 1.4 mm -66.25 -36.97 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.537 -0.979 . . . . 0.0 109.52 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' PHE . 64.1 mmm -48.15 -50.99 26.85 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.308 -0.87 . . . . 0.0 110.189 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.22 -48.17 12.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.113 -0.992 . . . . 0.0 109.426 -179.826 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.638 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 18.3 mt -52.04 -42.92 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.934 -1.104 . . . . 0.0 109.714 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -66.49 -27.49 67.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.463 -0.773 . . . . 0.0 109.975 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 44' ' ' CYS . 40.9 ttmt -96.28 -21.32 17.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.315 -0.866 . . . . 0.0 110.215 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 37' ' ' PHE . 6.1 t -53.86 -75.61 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.174 -0.954 . . . . 0.0 110.086 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.465 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -57.63 -30.52 65.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.403 -0.811 . . . . 0.0 110.305 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.454 ' O ' HG21 ' A' ' 43' ' ' THR . 95.3 m -79.04 -17.64 54.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.218 -0.927 . . . . 0.0 110.133 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 40' ' ' LYS . 10.6 t -92.37 -52.76 4.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.261 -0.899 . . . . 0.0 110.076 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.522 ' HG3' ' N ' ' A' ' 46' ' ' MET . 0.4 OUTLIER -51.92 -24.64 6.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.144 -0.972 . . . . 0.0 109.761 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.543 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -78.32 -25.02 46.38 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.401 -0.812 . . . . 0.0 109.656 179.734 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.543 ' N ' ' HG3' ' A' ' 46' ' ' MET . 23.2 mm -63.85 -34.2 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.305 -0.872 . . . . 0.0 109.189 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.3 mt -68.89 -39.02 80.01 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.438 -0.789 . . . . 0.0 109.448 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -45.72 -25.38 0.48 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.323 -0.861 . . . . 0.0 109.453 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 55' ' ' GLN . 29.7 mmtt -76.31 -32.53 58.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.464 -0.772 . . . . 0.0 109.96 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' LEU . 70.6 tt0 -61.59 -27.08 68.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.174 -0.953 . . . . 0.0 110.224 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.98 164.28 23.6 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.305 -0.872 . . . . 0.0 110.195 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -85.87 -8.76 57.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.191 -0.943 . . . . 0.0 110.223 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.0 p -70.24 -18.04 63.14 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.212 -0.93 . . . . 0.0 110.185 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.465 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 40.0 tt0 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.114 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 85.0 tttt . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.242 0.544 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.4 ' CG ' ' HB2' ' A' ' 4' ' ' ASP . 43.7 p30 -158.79 -178.24 7.11 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.157 -0.964 . . . . 0.0 110.266 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 7' ' ' MET . 36.3 mp0 -75.88 -0.54 21.66 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.256 -0.903 . . . . 0.0 110.279 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.4 ' HB2' ' CG ' ' A' ' 2' ' ' ASN . 67.8 m-20 -73.51 -1.47 18.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.225 -0.922 . . . . 0.0 110.153 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -122.36 -31.83 3.74 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.776 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.438 ' OE1' ' NE2' ' A' ' 12' ' ' GLN . 86.3 mt-10 -129.03 50.34 2.15 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.41 -0.806 . . . . 0.0 109.828 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 3' ' ' GLU . 76.8 mtm -41.85 -36.09 0.97 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.329 -0.857 . . . . 0.0 110.362 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.0 t -94.01 116.03 28.43 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.221 -0.924 . . . . 0.0 110.267 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -109.2 -12.09 14.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.167 -0.958 . . . . 0.0 110.128 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -72.81 -45.03 60.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.212 -0.93 . . . . 0.0 110.219 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' A' ' 41' ' ' CYS . 45.1 m-85 -83.38 -16.43 46.01 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.255 -0.903 . . . . 0.0 110.371 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' A' ' 15' ' ' MET . 49.1 tt0 -47.73 -38.21 14.88 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.036 -1.04 . . . . 0.0 109.345 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.28 -19.82 64.92 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.34 -0.85 . . . . 0.0 109.589 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.588 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 11.2 m-30 -89.22 15.38 9.02 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.286 -0.884 . . . . 0.0 110.364 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.56 ' O ' ' CG ' ' A' ' 15' ' ' MET . 13.7 ptt? -98.99 112.1 24.31 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.072 -1.017 . . . . 0.0 110.579 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 8.8 tttt -91.85 90.43 7.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.165 -0.959 . . . . 0.0 109.866 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 78.3 m-20 57.98 52.67 7.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.328 -0.857 . . . . 0.0 110.349 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.51 -13.45 58.15 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 19' ' ' LYS . 3.4 tmtm? -95.63 106.54 18.65 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.095 -1.238 . . . . 0.0 110.388 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' A' ' 45' ' ' LYS . 1.3 tt -85.72 115.49 23.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.249 -0.907 . . . . 0.0 110.194 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.588 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 24.5 p90 -101.73 64.16 0.97 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.072 -1.017 . . . . 0.0 109.885 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.6 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -50.07 -47.11 82.09 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.336 -0.852 . . . . 0.0 111.401 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -65.19 84.27 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.363 0 O-C-N 123.186 1.098 . . . . 0.0 111.067 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 22' ' ' CYS . 0.8 OUTLIER -126.82 -26.32 3.22 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.208 -0.932 . . . . 0.0 110.266 179.575 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.574 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 66.7 t0 -179.97 55.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.876 . . . . 0.0 109.639 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' PHE . 41.6 mttt -56.39 -13.51 2.29 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.333 -0.854 . . . . 0.0 110.926 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 99.6 mttt -42.15 -26.22 0.09 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.087 -1.008 . . . . 0.0 110.223 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 13.3 m-85 -48.53 -21.8 0.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.255 -0.903 . . . . 0.0 110.271 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CE2' HD12 ' A' ' 35' ' ' ILE . 7.5 t80 -40.51 -26.31 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.297 -0.877 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' PHE . 18.4 pt20 -67.78 -4.55 12.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.096 -1.003 . . . . 0.0 110.694 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.4 t -133.09 148.47 52.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.008 -1.058 . . . . 0.0 110.342 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.9 tp -46.34 -52.13 13.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.268 -0.895 . . . . 0.0 110.105 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -52.19 -36.81 53.0 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.324 -0.86 . . . . 0.0 108.777 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.484 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -71.92 -51.2 15.54 Favored Glycine 0 N--CA 1.484 1.892 0 N-CA-C 108.078 -2.009 . . . . 0.0 108.078 178.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.566 HD12 ' CE2' ' A' ' 29' ' ' PHE . 1.6 mm -54.86 -32.15 25.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.243 -1.151 . . . . 0.0 108.915 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.467 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 19.3 mmm -78.98 -65.68 0.96 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.346 -0.846 . . . . 0.0 110.266 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.62 -47.42 14.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.074 -1.016 . . . . 0.0 109.18 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.634 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 6.2 mt -52.81 -39.74 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.948 -1.095 . . . . 0.0 109.417 178.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 89.6 m-20 -65.4 -41.02 94.08 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.406 -0.809 . . . . 0.0 109.624 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 44' ' ' CYS . 52.8 mttt -83.86 -13.79 52.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.527 -0.733 . . . . 0.0 109.495 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.585 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 44.4 t -58.51 -67.42 0.36 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.369 -0.832 . . . . 0.0 110.171 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.84 -30.95 71.99 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.414 -0.804 . . . . 0.0 110.339 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.531 ' O ' ' CG ' ' A' ' 46' ' ' MET . 99.3 m -74.28 -46.16 43.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.243 -0.911 . . . . 0.0 110.033 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 59.2 m -62.43 -24.07 67.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.21 -0.931 . . . . 0.0 109.776 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.438 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 23.2 tttt -69.13 -44.27 72.7 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -0.869 . . . . 0.0 110.14 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.538 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -63.12 -23.1 67.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.915 . . . . 0.0 110.095 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.538 ' N ' ' HG3' ' A' ' 46' ' ' MET . 19.3 mm -59.18 -41.48 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.341 -0.85 . . . . 0.0 109.788 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? -71.71 -39.13 70.36 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.344 -0.848 . . . . 0.0 109.883 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -60.71 -25.14 66.2 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.306 -0.871 . . . . 0.0 110.244 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -75.1 -39.55 60.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.285 -0.884 . . . . 0.0 110.301 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.16 -25.1 45.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.214 -0.929 . . . . 0.0 110.213 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.32 -24.71 46.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.275 -0.891 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 45.06 52.28 8.45 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.268 -0.895 . . . . 0.0 110.171 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 11.9 t -101.32 97.22 7.74 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.303 -0.873 . . . . 0.0 110.142 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 54' ' ' SER . 80.3 mt-30 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.203 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 94.9 mttt . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.253 0.549 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -69.32 133.1 47.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.248 -0.907 . . . . 0.0 110.239 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -71.48 -24.52 62.0 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.229 -0.92 . . . . 0.0 110.258 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 6' ' ' GLU . 81.7 m-20 -84.06 -32.82 24.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.223 -0.923 . . . . 0.0 110.319 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 91.2 mt-30 57.84 -85.01 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.395 -0.815 . . . . 0.0 109.573 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 4' ' ' ASP . 97.8 mt-10 -68.53 60.7 0.09 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.279 -0.888 . . . . 0.0 109.124 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 5' ' ' GLN . 27.6 mtp -39.56 -30.55 0.07 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.547 -0.721 . . . . 0.0 110.575 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' GLU . 27.5 m -100.44 131.27 46.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.298 -0.876 . . . . 0.0 110.364 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -132.14 -44.86 0.94 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.269 -0.894 . . . . 0.0 110.207 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -80.32 -45.97 16.92 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.278 -0.889 . . . . 0.0 110.331 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.682 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 66.1 m-85 -66.1 -21.05 66.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.171 -0.955 . . . . 0.0 110.322 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' A' ' 15' ' ' MET . 40.3 tt0 -46.33 -47.74 18.44 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.08 -1.013 . . . . 0.0 109.302 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.5 -18.22 17.64 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.298 -0.876 . . . . 0.0 109.661 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.588 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 9.2 m-30 -89.82 16.37 8.19 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.278 -0.889 . . . . 0.0 110.397 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.537 ' O ' ' CG ' ' A' ' 15' ' ' MET . 7.0 ptt? -101.27 115.06 29.63 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.197 -0.94 . . . . 0.0 110.387 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 19' ' ' LYS . 81.3 tttt -93.8 80.69 4.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 110.149 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.449 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 15.1 t-20 64.76 57.33 1.06 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.271 -0.893 . . . . 0.0 110.414 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.73 -11.0 60.63 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.696 -1.361 . . . . 0.0 109.696 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . 7.4 tmtm? -96.5 113.32 24.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.237 -1.155 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.485 ' C ' ' CD2' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -92.54 104.23 16.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.173 -0.955 . . . . 0.0 110.223 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.588 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 12.8 p90 -94.42 64.35 3.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.074 -1.016 . . . . 0.0 109.931 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -50.34 -47.25 83.46 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.416 -0.802 . . . . 0.0 111.538 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -61.58 82.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.315 -1.234 0 O-C-N 123.089 1.047 . . . . 0.0 110.705 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.517 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 20.3 tt0 -120.77 -86.13 0.65 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.43 -0.794 . . . . 0.0 109.845 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.586 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 9.3 t0 -127.6 76.34 1.67 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.338 -0.851 . . . . 0.0 109.952 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' PHE . 53.1 mttt -65.39 -5.21 6.95 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.182 -0.949 . . . . 0.0 110.893 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LYS . 62.7 mmtt -41.94 -26.51 0.09 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.114 -0.991 . . . . 0.0 110.4 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 42.6 m-85 -52.05 -19.64 2.0 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.118 -0.989 . . . . 0.0 110.027 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.576 ' CG ' HD12 ' A' ' 35' ' ' ILE . 7.7 t80 -49.39 -20.64 0.72 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.319 -0.863 . . . . 0.0 110.494 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -69.88 -2.31 11.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.17 -0.956 . . . . 0.0 110.717 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.0 m -136.31 158.17 45.06 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.051 -1.03 . . . . 0.0 110.377 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.39 -47.99 83.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.908 . . . . 0.0 110.005 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -56.68 -39.93 74.67 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.405 -0.809 . . . . 0.0 109.181 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.464 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.45 -46.23 56.77 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 108.253 -1.939 . . . . 0.0 108.253 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.576 HD12 ' CG ' ' A' ' 29' ' ' PHE . 3.6 mm -55.65 -36.72 43.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.354 -1.086 . . . . 0.0 109.113 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.469 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 7.0 mtt -70.18 -65.34 0.74 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.292 -0.88 . . . . 0.0 109.871 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.682 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -46.77 -52.03 14.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.181 -0.949 . . . . 0.0 108.841 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.583 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 11.4 mt -48.78 -38.75 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.168 -0.958 . . . . 0.0 109.333 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 88.3 m-20 -69.7 -34.55 74.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.351 -0.843 . . . . 0.0 109.123 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -81.08 -15.07 57.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.591 -0.693 . . . . 0.0 109.47 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 11.3 t -63.05 -69.73 0.25 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.449 -0.782 . . . . 0.0 109.764 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.2 -30.45 17.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.565 -0.709 . . . . 0.0 110.036 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.545 ' O ' ' CG ' ' A' ' 46' ' ' MET . 87.1 m -78.62 -53.79 6.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.266 -0.896 . . . . 0.0 109.619 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.474 ' O ' HD21 ' A' ' 48' ' ' LEU . 42.0 t -46.1 -33.9 3.82 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.244 -0.91 . . . . 0.0 109.524 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -60.74 -47.58 85.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.35 -0.844 . . . . 0.0 110.222 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.2 OUTLIER -61.24 -21.64 64.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.171 -0.955 . . . . 0.0 109.775 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.528 ' N ' ' HG3' ' A' ' 46' ' ' MET . 27.5 mm -69.4 -32.93 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.449 -0.782 . . . . 0.0 109.492 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? -74.51 -42.11 59.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.416 -0.802 . . . . 0.0 109.963 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.483 ' HG2' ' HA ' ' A' ' 46' ' ' MET . 24.0 pt-20 -72.29 -27.73 62.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 0.0 110.12 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -57.14 -40.97 78.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.305 -0.872 . . . . 0.0 110.189 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.99 -24.34 66.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.265 -0.897 . . . . 0.0 110.245 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.35 158.47 30.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.209 -0.932 . . . . 0.0 110.271 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -56.6 -24.35 47.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.251 -0.905 . . . . 0.0 110.24 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.8 m 45.22 43.72 8.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.265 -0.897 . . . . 0.0 110.234 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.282 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 2' ' ' ASN . 47.2 tptt . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.242 0.544 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 1' ' ' LYS . 89.8 m-20 43.0 66.14 0.83 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.274 -0.891 . . . . 0.0 110.281 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -80.13 -11.0 59.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.221 -0.925 . . . . 0.0 110.268 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' A' ' 5' ' ' GLN . 81.4 m-20 -83.98 -26.22 29.38 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.24 -0.912 . . . . 0.0 110.14 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.527 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 3.8 tt0 75.44 -47.58 0.6 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.503 -0.748 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 5' ' ' GLN . 73.8 mt-10 -38.79 -30.05 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.44 -0.788 . . . . 0.0 110.202 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 5' ' ' GLN . 29.3 mtt 51.53 39.22 24.26 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.391 -0.818 . . . . 0.0 110.466 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.9 t -45.29 -78.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.218 -0.926 . . . . 0.0 110.108 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 56.5 m80 47.93 24.67 0.63 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.337 -0.852 . . . . 0.0 110.151 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -87.49 -24.29 24.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.273 -0.892 . . . . 0.0 110.143 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' A' ' 41' ' ' CYS . 11.5 m-85 -98.3 -2.62 39.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.236 -0.915 . . . . 0.0 110.229 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 15' ' ' MET . 50.6 tt0 -44.62 -43.61 8.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.096 -1.003 . . . . 0.0 109.848 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.31 -24.39 28.46 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.303 -0.873 . . . . 0.0 109.666 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.582 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 6.0 m-85 -91.26 17.0 8.86 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.394 -0.816 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.492 ' HA ' ' O ' ' A' ' 19' ' ' LYS . 20.8 ptm -94.79 131.05 41.06 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.062 -1.024 . . . . 0.0 110.372 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' LYS . 55.1 tttp -105.31 77.64 1.31 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.208 -0.932 . . . . 0.0 110.28 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 10.9 t-20 68.24 56.16 0.51 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.246 -0.909 . . . . 0.0 110.543 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.36 -28.65 7.94 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.515 ' HD3' ' N ' ' A' ' 20' ' ' LEU . 1.3 tmtp? -87.02 151.38 23.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -1.149 . . . . 0.0 109.62 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.515 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 20.3 tp -124.83 118.64 26.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.234 -0.916 . . . . 0.0 110.299 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.582 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 7.0 p90 -97.58 67.64 2.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.189 -0.944 . . . . 0.0 109.846 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.585 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -47.93 -48.89 61.23 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.438 -0.789 . . . . 0.0 111.399 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.5 Cg_exo -61.12 82.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.314 -1.244 0 O-C-N 123.254 1.134 . . . . 0.0 110.738 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.526 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 10.6 tt0 -113.45 -78.31 0.58 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.476 -0.765 . . . . 0.0 109.755 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 36.7 m-20 -135.14 61.63 1.66 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.421 -0.799 . . . . 0.0 109.683 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' PHE . 62.0 mttt -53.5 -16.32 1.44 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.0 110.879 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' LYS . 80.4 mttt -41.69 -26.81 0.08 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.051 -1.031 . . . . 0.0 110.157 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 24.9 m-85 -51.0 -20.23 1.29 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.263 -0.898 . . . . 0.0 110.206 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.526 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 13.7 t80 -44.22 -25.21 0.21 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.128 -0.982 . . . . 0.0 110.248 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' PHE . 15.8 mt-30 -69.1 -3.33 12.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.261 -0.899 . . . . 0.0 110.615 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.7 t -134.71 157.22 47.25 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.085 -1.009 . . . . 0.0 110.281 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.459 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.8 tm? -56.53 -47.96 78.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.28 -0.888 . . . . 0.0 109.956 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -54.43 -39.28 67.2 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.369 -0.832 . . . . 0.0 108.888 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.483 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.73 -51.18 26.24 Favored Glycine 0 N--CA 1.484 1.873 0 N-CA-C 108.131 -1.988 . . . . 0.0 108.131 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.485 HD12 ' CG ' ' A' ' 29' ' ' PHE . 6.2 mm -53.49 -32.21 20.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 121.438 -1.037 . . . . 0.0 109.11 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.426 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -75.35 -66.09 0.81 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.297 -0.877 . . . . 0.0 109.98 179.496 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.637 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -50.08 -47.81 53.45 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.285 -0.884 . . . . 0.0 109.117 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.637 ' CG1' ' CE1' ' A' ' 37' ' ' PHE . 7.5 mt -53.54 -36.48 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.908 -1.12 . . . . 0.0 108.966 178.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 36' ' ' MET . 1.1 m-80 -74.65 -28.96 61.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.529 -0.732 . . . . 0.0 109.532 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 44' ' ' CYS . 17.0 mttt -88.01 -25.78 22.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.355 -0.841 . . . . 0.0 109.784 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.588 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 2.5 t -42.61 -73.46 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.21 -0.931 . . . . 0.0 110.18 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.06 75.12 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.662 -0.649 . . . . 0.0 110.779 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' CG ' ' A' ' 46' ' ' MET . 78.2 m -71.47 -22.5 61.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.245 -0.909 . . . . 0.0 110.296 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.549 ' N ' ' O ' ' A' ' 40' ' ' LYS . 5.2 t -89.04 -49.99 6.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.27 -0.894 . . . . 0.0 109.542 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.49 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . 10.1 tttt -46.91 -43.48 18.97 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.36 -0.837 . . . . 0.0 109.167 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.515 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -61.41 -29.07 69.7 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.357 -0.839 . . . . 0.0 109.836 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.501 ' CD1' ' SD ' ' A' ' 46' ' ' MET . 26.6 mm -61.21 -37.2 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.3 -0.875 . . . . 0.0 109.583 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.6 mt -67.51 -33.95 76.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.468 -0.77 . . . . 0.0 109.91 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -55.75 -18.39 8.22 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.194 -0.941 . . . . 0.0 109.794 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -90.53 -27.27 19.28 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.41 -0.806 . . . . 0.0 110.036 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.02 -27.14 65.4 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.352 -0.843 . . . . 0.0 110.23 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.91 151.95 29.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.238 -0.914 . . . . 0.0 110.158 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -68.09 -7.96 34.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.239 -0.913 . . . . 0.0 110.215 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.1 p -72.58 -7.48 50.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.229 -0.919 . . . . 0.0 110.197 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.239 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.256 0.55 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -90.05 139.86 30.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.199 -0.938 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.524 ' O ' ' CG ' ' A' ' 7' ' ' MET . 88.1 tt0 -77.31 -15.65 59.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.303 -0.873 . . . . 0.0 110.08 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -79.13 4.87 13.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.256 -0.903 . . . . 0.0 110.148 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -116.17 -26.62 7.16 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 0.0 109.659 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 7' ' ' MET . 89.0 mt-10 -141.72 44.67 1.71 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.481 -0.762 . . . . 0.0 109.686 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.524 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 85.7 mtp -41.11 -31.85 0.22 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.483 -0.761 . . . . 0.0 110.51 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 67.5 m -105.55 113.55 27.19 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.265 -0.897 . . . . 0.0 110.472 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -89.4 -14.65 35.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.275 -0.891 . . . . 0.0 110.028 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -86.1 -39.09 17.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.343 -0.848 . . . . 0.0 110.135 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.581 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 57.9 m-85 -83.18 -27.0 30.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.18 -0.95 . . . . 0.0 110.03 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.471 ' O ' ' HG2' ' A' ' 15' ' ' MET . 17.2 tt0 -46.24 -43.72 15.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.142 -0.974 . . . . 0.0 109.489 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.26 -18.47 61.31 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.305 -0.872 . . . . 0.0 109.77 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.584 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 14.2 m-30 -89.32 16.52 7.3 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.153 -0.967 . . . . 0.0 110.33 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.545 ' O ' ' CG ' ' A' ' 15' ' ' MET . 16.5 ptm -103.02 116.48 32.6 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.153 -0.967 . . . . 0.0 110.41 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 11.6 tttt -93.38 87.47 5.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.028 -1.045 . . . . 0.0 110.03 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 77.6 m-20 58.3 52.97 6.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.338 -0.851 . . . . 0.0 110.383 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.67 -14.76 62.08 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . 6.5 tmtm? -93.61 105.15 17.22 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.082 -1.246 . . . . 0.0 110.436 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' A' ' 45' ' ' LYS . 20.5 tp -86.36 111.0 20.07 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.186 -0.946 . . . . 0.0 110.097 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 7.9 p90 -99.07 69.44 1.74 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.062 -1.024 . . . . 0.0 110.153 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.589 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -49.55 -48.07 76.73 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.483 -0.761 . . . . 0.0 111.291 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.01 73.79 0.1 OUTLIER 'Trans proline' 0 C--N 1.315 -1.225 0 O-C-N 123.228 1.12 . . . . 0.0 110.883 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' CYS . 6.5 tt0 -109.55 -42.87 4.2 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.428 -0.795 . . . . 0.0 109.403 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.575 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 53.2 t0 -171.81 61.0 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.635 -0.665 . . . . 0.0 109.456 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.475 ' CA ' HD13 ' A' ' 38' ' ' ILE . 83.9 mttt -55.22 -15.17 2.12 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.421 -0.8 . . . . 0.0 110.871 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 94.6 mttt -41.16 -27.58 0.07 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.309 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 14.7 m-85 -50.32 -26.86 5.3 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.247 -0.908 . . . . 0.0 109.923 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.636 ' CE1' ' CD1' ' A' ' 35' ' ' ILE . 50.9 t80 -42.98 -25.46 0.1 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.351 -0.843 . . . . 0.0 110.601 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 28' ' ' PHE . 47.7 mt-30 -65.67 -7.2 14.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.322 -0.861 . . . . 0.0 110.628 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.2 m -128.77 166.43 19.03 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.117 -0.989 . . . . 0.0 110.162 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.68 -54.64 42.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.253 -0.904 . . . . 0.0 110.173 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -52.85 -36.6 59.08 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.299 -0.876 . . . . 0.0 108.885 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.487 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -72.76 -45.72 33.49 Favored Glycine 0 N--CA 1.485 1.902 0 N-CA-C 108.135 -1.986 . . . . 0.0 108.135 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.636 ' CD1' ' CE1' ' A' ' 29' ' ' PHE . 2.0 mm -55.21 -34.54 33.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 121.222 -1.163 . . . . 0.0 108.981 179.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.461 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 5.6 mtp -75.84 -64.75 1.02 Allowed 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.176 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.639 ' CE1' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -46.45 -48.87 18.87 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.262 -0.899 . . . . 0.0 109.107 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.639 ' CD1' ' CE1' ' A' ' 37' ' ' PHE . 24.5 mm -49.21 -41.22 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.896 -1.128 . . . . 0.0 109.198 178.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 96.5 m-20 -68.71 -34.0 74.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.442 -0.786 . . . . 0.0 110.002 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 38.3 mttt -85.01 -25.69 27.54 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.329 -0.857 . . . . 0.0 110.017 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.58 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 6.7 t -47.04 -72.25 0.06 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -0.915 . . . . 0.0 109.963 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.92 -33.59 64.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.467 -0.771 . . . . 0.0 110.338 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.532 ' O ' ' CG ' ' A' ' 46' ' ' MET . 28.9 m -67.68 -58.2 5.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 110.112 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.469 ' O ' HD21 ' A' ' 48' ' ' LEU . 65.8 m -48.78 -33.46 10.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.123 -0.986 . . . . 0.0 109.92 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.479 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 19.4 tttp -60.55 -47.47 86.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.306 -0.871 . . . . 0.0 110.109 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.549 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -63.78 -23.39 67.34 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.239 -0.913 . . . . 0.0 110.029 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.549 ' N ' ' HG3' ' A' ' 46' ' ' MET . 26.6 mm -63.35 -41.89 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.386 -0.821 . . . . 0.0 109.6 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -66.94 -39.91 87.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.394 -0.816 . . . . 0.0 109.536 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -56.7 -26.38 56.57 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.361 -0.837 . . . . 0.0 110.087 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 46' ' ' MET . 83.7 mttt -64.66 -39.05 93.01 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.241 -0.912 . . . . 0.0 110.204 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' OE1' HD11 ' A' ' 48' ' ' LEU . 61.5 mt-10 -57.4 -26.5 61.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.278 -0.888 . . . . 0.0 110.201 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.39 -19.98 52.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.209 -0.932 . . . . 0.0 110.238 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -86.16 -24.83 26.02 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.25 -0.906 . . . . 0.0 110.176 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.0 m -79.27 -16.59 56.2 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.288 -0.883 . . . . 0.0 110.266 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 27.8 pt20 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.18 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.405 ' HE3' ' CD ' ' A' ' 51' ' ' GLU . 21.3 tptm . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.174 0.511 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -102.34 114.37 28.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.293 -0.879 . . . . 0.0 110.196 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -65.86 -8.51 22.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.279 -0.888 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -110.02 55.97 0.63 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.322 -0.861 . . . . 0.0 110.273 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 6' ' ' GLU . 10.1 pt20 -114.77 64.77 0.67 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 110.123 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 26.7 mt-10 61.41 26.51 16.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.285 -0.884 . . . . 0.0 110.133 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.46 ' HB3' ' CE1' ' A' ' 9' ' ' HIS . 67.6 mtp -75.55 140.18 42.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.275 -0.891 . . . . 0.0 110.107 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 27.8 p -92.23 -28.3 17.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.884 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.46 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 77.0 m-70 54.29 26.14 6.57 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.242 -0.911 . . . . 0.0 110.219 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 8' ' ' CYS . 76.9 mt-10 -106.31 -24.14 12.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.216 -0.927 . . . . 0.0 110.207 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 40.8 m-85 -100.56 -3.65 30.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 0.0 110.259 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' A' ' 15' ' ' MET . 56.6 tt0 -46.49 -42.31 15.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.161 -0.962 . . . . 0.0 110.044 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.54 -14.39 12.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.353 -0.842 . . . . 0.0 110.053 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.59 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 20.9 m-85 -96.44 19.9 11.41 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.253 -0.904 . . . . 0.0 110.546 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.466 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 94.3 mtp -94.39 96.07 9.28 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.193 -0.942 . . . . 0.0 110.15 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.551 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 74.0 tttt -79.93 97.46 6.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.426 -0.796 . . . . 0.0 110.223 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 15.1 t-20 61.05 59.0 2.12 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.251 -0.906 . . . . 0.0 110.139 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.1 18.91 63.15 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.506 -1.437 . . . . 0.0 109.506 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.2 tmtp? -126.92 114.08 17.39 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.215 -1.168 . . . . 0.0 110.049 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' C ' ' CD2' ' A' ' 20' ' ' LEU . 2.1 tt -83.63 116.23 22.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.244 -0.91 . . . . 0.0 110.469 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 10.0 p90 -101.3 74.74 1.58 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.218 -0.926 . . . . 0.0 109.72 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.626 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 5.5 t -56.64 -42.76 97.93 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.351 -0.843 . . . . 0.0 111.684 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 2.8 Cg_endo -65.46 75.75 0.27 Allowed 'Trans proline' 0 C--N 1.316 -1.142 0 O-C-N 122.711 0.848 . . . . 0.0 111.069 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 22' ' ' CYS . 4.8 pt20 -119.98 -113.29 0.33 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.966 -1.084 . . . . 0.0 109.489 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.587 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 8.3 t0 -97.8 68.89 2.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.892 -1.13 . . . . 0.0 109.843 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' PHE . 86.5 mttt -64.6 -5.68 6.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -0.959 . . . . 0.0 110.953 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 91.4 mttt -41.64 -26.82 0.08 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.138 -0.976 . . . . 0.0 110.316 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 57.1 m-85 -44.78 -24.89 0.24 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.258 -0.901 . . . . 0.0 110.124 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.568 ' CD2' HD12 ' A' ' 35' ' ' ILE . 9.1 t80 -43.53 -24.0 0.09 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.324 -0.86 . . . . 0.0 110.831 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 28' ' ' PHE . 28.5 pt20 -69.16 -2.67 10.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.114 -0.992 . . . . 0.0 110.802 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.4 t -138.23 152.55 48.71 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.983 -1.073 . . . . 0.0 110.447 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tt -51.34 -47.52 62.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.209 -0.932 . . . . 0.0 110.011 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -54.85 -38.48 67.51 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.282 -0.886 . . . . 0.0 108.99 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.481 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -68.81 -53.42 19.7 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 108.215 -1.954 . . . . 0.0 108.215 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.568 HD12 ' CD2' ' A' ' 29' ' ' PHE . 3.3 mm -52.33 -30.98 14.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.242 -1.152 . . . . 0.0 108.973 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.415 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -75.26 -67.23 0.68 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.45 -0.781 . . . . 0.0 110.123 179.463 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -51.11 -45.69 61.64 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.262 -0.899 . . . . 0.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.634 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 6.5 mt -52.43 -34.52 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.828 -1.17 . . . . 0.0 109.191 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 36' ' ' MET . 0.9 OUTLIER -77.56 -35.69 52.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.437 -0.789 . . . . 0.0 109.59 179.382 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -76.5 -19.6 57.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.436 -0.79 . . . . 0.0 109.67 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.494 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -54.33 -66.03 0.47 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.372 -0.83 . . . . 0.0 109.94 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.14 -33.09 67.04 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.372 -0.83 . . . . 0.0 109.807 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.531 ' O ' ' CG ' ' A' ' 46' ' ' MET . 97.5 m -68.3 -55.57 11.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.388 -0.82 . . . . 0.0 110.226 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.3 m -62.22 -27.35 68.92 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.146 -0.971 . . . . 0.0 110.332 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -64.2 -50.23 68.89 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.233 -0.917 . . . . 0.0 110.373 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.538 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -59.35 -25.75 64.48 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.139 -0.976 . . . . 0.0 110.036 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.538 ' N ' ' HG3' ' A' ' 46' ' ' MET . 20.6 mm -57.76 -41.64 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.288 -0.883 . . . . 0.0 109.564 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 4.1 mm? -67.05 -38.44 85.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.344 -0.847 . . . . 0.0 109.516 179.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -62.76 -25.28 68.13 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.452 -0.78 . . . . 0.0 110.093 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 46' ' ' MET . 59.4 mtpt -65.8 -40.27 91.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.321 -0.862 . . . . 0.0 110.197 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' CD ' ' HE3' ' A' ' 1' ' ' LYS . 93.6 mt-10 -63.09 -25.06 68.19 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.139 -0.976 . . . . 0.0 110.211 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.84 -22.21 58.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.226 -0.921 . . . . 0.0 110.069 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -78.29 -36.37 46.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.253 -0.904 . . . . 0.0 110.198 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.5 m -66.81 -18.43 65.37 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.245 -0.909 . . . . 0.0 110.23 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.208 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 78.0 tttt . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.279 0.562 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.487 ' ND2' ' HB2' ' A' ' 4' ' ' ASP . 48.9 t30 -121.4 127.65 51.39 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.171 -0.955 . . . . 0.0 110.236 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -59.21 -30.93 68.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.268 -0.895 . . . . 0.0 109.992 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.487 ' HB2' ' ND2' ' A' ' 2' ' ' ASN . 85.6 m-20 -67.7 -11.95 59.45 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 109.829 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 2' ' ' ASN . 55.9 mt-30 -94.6 -43.87 8.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.511 -0.743 . . . . 0.0 109.338 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 7' ' ' MET . 72.3 mt-10 -83.9 -11.03 57.52 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.554 -0.717 . . . . 0.0 109.298 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.468 ' HB2' ' O ' ' A' ' 6' ' ' GLU . 47.8 mtt 59.19 -160.7 0.27 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.56 -0.712 . . . . 0.0 110.545 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.2 t -133.76 120.71 20.89 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.397 -0.814 . . . . 0.0 109.984 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 12' ' ' GLN . 86.1 m-70 -114.39 -16.36 11.97 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.273 -0.892 . . . . 0.0 110.441 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.453 ' OE1' ' HD2' ' A' ' 40' ' ' LYS . 79.7 tt0 -58.19 -46.52 85.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.203 -0.936 . . . . 0.0 110.41 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.592 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 27.1 m-85 -88.19 -7.22 57.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.294 -0.879 . . . . 0.0 110.462 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.463 ' O ' ' HG2' ' A' ' 15' ' ' MET . 57.8 tt0 -44.18 -47.53 9.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.133 -0.98 . . . . 0.0 110.2 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.75 -17.48 15.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.277 -0.889 . . . . 0.0 110.077 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 16.9 m-30 -90.25 13.37 15.45 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.363 -0.836 . . . . 0.0 110.511 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.528 ' O ' ' CG ' ' A' ' 15' ' ' MET . 17.1 ptm -101.48 119.19 38.39 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.912 -1.117 . . . . 0.0 110.708 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 48.6 tptt -97.33 84.96 3.55 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.209 -0.932 . . . . 0.0 109.87 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 84.3 m-20 58.85 54.73 4.97 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.459 -0.775 . . . . 0.0 110.673 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.24 -15.15 60.49 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.511 ' HD3' ' N ' ' A' ' 20' ' ' LEU . 3.9 tmtm? -94.72 128.52 41.46 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.096 -1.237 . . . . 0.0 110.183 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.511 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 28.0 tp -108.85 116.16 31.46 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.117 -0.99 . . . . 0.0 110.277 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.583 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 29.6 p90 -103.49 69.56 1.0 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.1 -1.0 . . . . 0.0 110.175 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.599 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -55.72 -47.63 98.29 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.429 -0.795 . . . . 0.0 111.573 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.41 83.98 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.22 0 O-C-N 123.224 1.118 . . . . 0.0 111.084 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.51 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 12.6 tt0 -125.97 -78.72 0.59 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.424 -0.797 . . . . 0.0 109.774 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.583 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 13.7 t0 -135.4 76.78 1.64 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.428 -0.795 . . . . 0.0 109.808 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 51.1 mttt -69.65 -2.52 11.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.277 -0.889 . . . . 0.0 110.799 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' LYS . 58.9 mmtt -42.15 -27.81 0.15 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.186 -0.946 . . . . 0.0 110.132 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.583 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 25.4 m-85 -46.74 -23.52 0.43 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.258 -0.902 . . . . 0.0 110.168 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CD2' HD12 ' A' ' 35' ' ' ILE . 13.0 t80 -49.76 -19.49 0.65 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.11 -0.993 . . . . 0.0 110.588 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -63.49 -8.88 10.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.145 -0.972 . . . . 0.0 110.581 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.5 m -141.94 163.21 33.5 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.033 -1.042 . . . . 0.0 110.705 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.55 -55.32 34.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.345 -0.847 . . . . 0.0 110.355 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -52.25 -38.48 58.26 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.318 -0.864 . . . . 0.0 108.794 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.535 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.15 -42.65 50.26 Favored Glycine 0 N--CA 1.483 1.8 0 N-CA-C 108.204 -1.959 . . . . 0.0 108.204 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.58 HD12 ' CD2' ' A' ' 29' ' ' PHE . 3.8 mm -56.98 -33.73 42.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.425 -1.044 . . . . 0.0 109.482 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' PHE . 51.6 mmm -60.02 -60.08 4.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.161 -0.962 . . . . 0.0 110.243 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.34 -52.72 5.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.222 -0.924 . . . . 0.0 109.375 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.643 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 8.0 mt -52.33 -37.93 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.886 -1.134 . . . . 0.0 109.769 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 36' ' ' MET . 8.3 m120 -71.86 -26.53 62.4 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.37 -0.831 . . . . 0.0 109.924 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 44' ' ' CYS . 11.7 mttt -97.24 -18.23 19.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 109.778 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.587 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 10.3 t -50.62 -74.57 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.379 -0.826 . . . . 0.0 110.191 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.57 -28.78 69.87 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.465 -0.772 . . . . 0.0 110.269 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' CG ' ' A' ' 46' ' ' MET . 97.4 m -76.56 -17.79 59.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.935 . . . . 0.0 109.928 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 40' ' ' LYS . 35.9 t -87.67 -45.5 10.33 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.407 -0.808 . . . . 0.0 109.653 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -56.59 -25.47 52.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.324 -0.86 . . . . 0.0 109.575 179.548 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.533 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.8 OUTLIER -79.11 -23.59 43.97 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.402 -0.811 . . . . 0.0 109.383 179.63 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.533 ' N ' ' HG3' ' A' ' 46' ' ' MET . 29.0 mm -63.5 -45.44 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.395 -0.816 . . . . 0.0 109.323 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' GLU . 1.1 mt -58.89 -36.79 75.26 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.463 -0.773 . . . . 0.0 109.739 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 46' ' ' MET . 35.5 mm-40 -46.01 -25.5 0.57 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.236 -0.915 . . . . 0.0 109.36 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -79.92 -31.59 40.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.403 -0.811 . . . . 0.0 110.034 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' LEU . 95.0 mt-10 -60.65 -25.6 66.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.24 -0.912 . . . . 0.0 110.225 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.61 -22.71 43.32 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.0 110.23 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -77.89 -32.61 51.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.233 -0.917 . . . . 0.0 110.167 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 m -75.05 -14.35 60.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.285 -0.885 . . . . 0.0 110.245 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.2 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 82.3 tttt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.293 0.568 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -98.89 131.19 45.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.185 -0.947 . . . . 0.0 110.249 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -79.9 -19.59 47.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.299 -0.876 . . . . 0.0 110.26 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 58.0 t0 -119.41 -102.66 0.42 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.205 -0.935 . . . . 0.0 110.196 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.463 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 1.1 tt0 176.62 -34.62 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.97 -1.081 . . . . 0.0 110.237 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.484 ' OE2' ' CG2' ' A' ' 43' ' ' THR . 4.9 tt0 -121.44 87.3 2.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.325 -0.86 . . . . 0.0 110.239 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 65.7 mtm -79.51 145.43 33.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.341 -0.849 . . . . 0.0 110.179 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 42.7 t -129.78 106.11 8.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.203 -0.936 . . . . 0.0 110.204 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -92.69 -16.53 25.39 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.182 -0.949 . . . . 0.0 110.197 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -66.51 -46.2 77.02 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.174 -0.954 . . . . 0.0 110.18 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.699 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 65.9 m-85 -93.68 -15.06 25.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.214 -0.929 . . . . 0.0 110.375 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' A' ' 15' ' ' MET . 24.9 tt0 -44.98 -36.37 3.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.107 -0.996 . . . . 0.0 110.012 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.71 -21.89 66.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.192 -0.943 . . . . 0.0 110.014 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.579 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 5.9 m-30 -92.14 18.27 8.35 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.247 -0.908 . . . . 0.0 110.351 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.537 ' O ' ' CG ' ' A' ' 15' ' ' MET . 20.9 ptm -96.96 117.1 30.4 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.082 -1.011 . . . . 0.0 110.356 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 11.3 tttt -95.74 92.39 6.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.195 -0.941 . . . . 0.0 109.971 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 78.1 m-20 58.12 51.31 8.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.396 -0.815 . . . . 0.0 110.253 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.24 -14.46 49.94 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -94.58 106.13 18.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.153 -1.204 . . . . 0.0 110.34 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.522 ' CD2' ' HA ' ' A' ' 45' ' ' LYS . 57.3 tp -91.17 120.78 32.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.171 -0.956 . . . . 0.0 110.261 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.579 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 6.3 p90 -96.18 86.03 4.15 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.227 -0.921 . . . . 0.0 109.778 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 43.1 t -57.51 -41.98 93.4 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.438 -0.789 . . . . 0.0 112.025 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -63.19 72.7 0.13 Allowed 'Trans proline' 0 C--N 1.318 -1.056 0 O-C-N 122.729 0.857 . . . . 0.0 110.767 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.52 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 19.9 tt0 -105.38 -91.18 0.4 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.355 -0.841 . . . . 0.0 109.789 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.593 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 60.1 t0 -138.97 74.91 1.49 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.835 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' PHE . 79.1 mttt -60.44 -8.77 2.93 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.167 -0.958 . . . . 0.0 111.092 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' LYS . 64.7 mmtt -41.05 -27.43 0.06 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.009 -1.057 . . . . 0.0 110.604 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 23.0 m-85 -59.05 -14.41 9.64 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.197 -0.939 . . . . 0.0 110.07 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CG ' HD12 ' A' ' 35' ' ' ILE . 12.7 t80 -51.87 -19.89 1.97 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.284 -0.885 . . . . 0.0 110.274 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.53 -0.96 14.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.324 -0.86 . . . . 0.0 110.608 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.1 m -133.99 149.58 51.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.167 -0.958 . . . . 0.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -52.8 -47.86 67.31 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 0.0 110.126 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -57.29 -43.28 83.02 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.316 -0.865 . . . . 0.0 108.953 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.476 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.13 -41.07 82.03 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 108.261 -1.936 . . . . 0.0 108.261 178.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.58 HD12 ' CG ' ' A' ' 29' ' ' PHE . 1.8 mm -57.5 -37.77 59.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.371 -1.076 . . . . 0.0 109.175 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 10.0 mtp -75.17 -62.53 1.52 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.346 -0.846 . . . . 0.0 110.292 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.699 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -46.95 -50.18 19.38 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.142 -0.973 . . . . 0.0 109.229 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.625 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 5.9 mt -51.43 -39.21 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.069 -1.02 . . . . 0.0 109.196 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 36' ' ' MET . 8.2 m120 -66.84 -34.82 78.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.345 -0.847 . . . . 0.0 109.283 179.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 44' ' ' CYS . 10.6 mttt -69.94 -37.73 75.96 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.441 -0.787 . . . . 0.0 110.176 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.575 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 3.1 t -41.52 -67.4 0.26 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.262 -0.899 . . . . 0.0 110.347 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.447 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -53.54 -33.36 54.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.235 -0.916 . . . . 0.0 110.318 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.508 ' O ' ' CG ' ' A' ' 46' ' ' MET . 24.2 m -79.99 -23.85 41.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.231 -0.918 . . . . 0.0 110.209 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.511 ' N ' ' O ' ' A' ' 40' ' ' LYS . 72.7 m -86.19 -50.87 6.66 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.294 -0.879 . . . . 0.0 109.969 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' A' ' 46' ' ' MET . 5.5 ptpt -50.75 -26.79 6.04 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.295 -0.878 . . . . 0.0 110.115 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.53 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 1.3 ppp? -79.05 -24.46 43.55 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.227 -0.921 . . . . 0.0 109.949 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.527 ' N ' ' HG3' ' A' ' 46' ' ' MET . 25.2 mm -62.99 -37.48 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.406 -0.809 . . . . 0.0 109.53 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -68.12 -40.04 82.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.477 -0.765 . . . . 0.0 109.66 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -65.47 -24.29 67.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.301 -0.874 . . . . 0.0 109.972 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 46' ' ' MET . 40.2 mttt -66.09 -43.41 87.38 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.0 110.201 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -59.79 -23.78 63.57 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.307 -0.871 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.77 151.69 40.55 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.211 -0.931 . . . . 0.0 110.188 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.52 -8.67 49.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.266 -0.896 . . . . 0.0 110.241 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.4 m -71.9 -20.41 61.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.174 -0.954 . . . . 0.0 110.185 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.218 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 74.3 mttt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.244 0.545 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -85.87 129.52 34.81 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.231 -0.918 . . . . 0.0 110.185 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 93.0 mt-10 -63.15 -25.13 68.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.238 -0.914 . . . . 0.0 110.24 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 80.7 m-20 54.55 59.93 3.84 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.291 -0.88 . . . . 0.0 110.325 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 27.5 tt0 -124.06 -14.13 7.14 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.248 -0.907 . . . . 0.0 110.069 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 91.7 mt-10 -156.83 33.53 0.3 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.425 -0.797 . . . . 0.0 109.738 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' GLU . 9.1 tpt -41.76 -60.03 1.49 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.443 -0.786 . . . . 0.0 110.337 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 t -76.47 106.76 8.29 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.219 -0.925 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -95.88 -5.09 42.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.286 -0.884 . . . . 0.0 110.263 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -79.72 -49.3 12.28 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.188 -0.945 . . . . 0.0 110.196 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.703 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 64.3 m-85 -84.46 -13.45 52.0 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.219 -0.926 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.49 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 35.3 tt0 -45.46 -44.39 12.26 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.072 -1.017 . . . . 0.0 109.802 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.68 -18.09 18.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.278 -0.889 . . . . 0.0 109.903 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.582 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 9.9 m-85 -98.26 21.36 11.05 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.311 -0.868 . . . . 0.0 110.551 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.526 ' O ' ' CG ' ' A' ' 15' ' ' MET . 16.1 ptm -95.7 103.37 15.24 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.16 -0.963 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' LYS . 11.9 tttt -83.66 95.1 8.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.101 -1.0 . . . . 0.0 110.097 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 73.0 m-80 57.33 54.69 6.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.337 -0.852 . . . . 0.0 110.194 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.55 -2.48 62.85 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' LYS . 6.6 tmtt? -105.32 105.89 16.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.175 -1.191 . . . . 0.0 110.189 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' A' ' 45' ' ' LYS . 15.6 tp -85.36 117.4 24.26 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.292 -0.88 . . . . 0.0 110.16 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.582 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 9.3 p90 -95.58 86.68 4.51 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.178 -0.951 . . . . 0.0 109.627 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.603 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 30.5 t -55.9 -42.64 97.13 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.493 -0.754 . . . . 0.0 111.992 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.2 Cg_exo -62.28 82.0 0.1 OUTLIER 'Trans proline' 0 C--N 1.319 -1.004 0 O-C-N 122.656 0.819 . . . . 0.0 110.808 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.528 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 21.2 tt0 -115.54 -91.26 0.53 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.331 -0.856 . . . . 0.0 109.777 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.595 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 52.5 t0 -134.96 67.69 1.49 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.204 -0.935 . . . . 0.0 109.658 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 28' ' ' PHE . 75.8 mttt -53.22 -13.49 0.53 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.323 -0.861 . . . . 0.0 111.359 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' LYS . 71.0 mmtt -39.83 -27.54 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.114 -0.991 . . . . 0.0 110.628 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 50.5 m-85 -53.1 -19.92 3.28 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.132 -0.98 . . . . 0.0 109.681 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CD2' HD12 ' A' ' 35' ' ' ILE . 6.4 t80 -47.72 -22.2 0.49 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.414 -0.804 . . . . 0.0 110.31 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -68.5 -4.26 14.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -0.901 . . . . 0.0 110.544 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.6 p -135.99 153.38 51.4 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.12 -0.988 . . . . 0.0 110.344 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.434 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 2.8 tm? -53.56 -52.13 60.73 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.278 -0.889 . . . . 0.0 110.085 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -53.26 -38.2 62.82 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.396 -0.815 . . . . 0.0 108.973 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.47 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -71.94 -46.27 37.78 Favored Glycine 0 N--CA 1.486 2.003 0 N-CA-C 108.114 -1.994 . . . . 0.0 108.114 178.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.577 HD12 ' CD2' ' A' ' 29' ' ' PHE . 2.2 mm -56.45 -34.56 41.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.299 -1.118 . . . . 0.0 109.116 179.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.463 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 6.2 mmm -74.98 -64.36 1.07 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.286 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.703 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -47.87 -48.71 31.09 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.097 -1.002 . . . . 0.0 109.187 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.608 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 5.0 mt -51.45 -38.85 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.037 -1.039 . . . . 0.0 109.184 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 91.8 m-20 -67.91 -37.37 81.63 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.399 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' CYS . 38.6 mttt -70.54 -31.17 68.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.511 -0.743 . . . . 0.0 109.781 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.567 ' SG ' ' CE1' ' A' ' 11' ' ' PHE . 1.6 t -43.46 -66.55 0.36 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.173 -0.954 . . . . 0.0 110.153 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.35 64.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.282 -0.886 . . . . 0.0 110.097 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.537 ' O ' ' CG ' ' A' ' 46' ' ' MET . 88.8 m -69.76 -56.05 8.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.242 -0.911 . . . . 0.0 110.106 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.463 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 49.1 m -56.66 -36.35 69.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.272 -0.892 . . . . 0.0 110.125 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.492 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 20.1 ttmt -55.15 -45.9 75.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -0.891 . . . . 0.0 110.445 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.548 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.01 -22.78 64.97 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.145 -0.972 . . . . 0.0 110.298 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.548 ' N ' ' HG3' ' A' ' 46' ' ' MET . 38.8 mm -59.36 -37.35 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.208 -0.932 . . . . 0.0 109.834 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.4 mm? -76.69 -39.98 50.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.844 . . . . 0.0 109.819 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.09 -27.96 68.74 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.382 -0.824 . . . . 0.0 110.106 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -66.79 -38.16 86.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.301 -0.874 . . . . 0.0 110.188 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -61.77 -21.47 64.59 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.252 -0.905 . . . . 0.0 110.195 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.79 142.52 35.26 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.164 -0.96 . . . . 0.0 110.243 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -75.42 0.36 17.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.264 -0.897 . . . . 0.0 110.259 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.3 m -73.77 -20.3 60.53 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.202 -0.936 . . . . 0.0 110.179 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.197 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 81.3 tttt . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.24 0.543 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.463 ' OD1' ' HB2' ' A' ' 4' ' ' ASP . 1.6 t-20 -117.29 123.4 46.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.212 -0.93 . . . . 0.0 110.146 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -66.31 -14.08 61.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.208 -0.932 . . . . 0.0 110.311 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.463 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 74.3 m-20 -77.14 2.57 14.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.203 -0.935 . . . . 0.0 110.257 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -122.95 -30.64 3.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.313 -0.867 . . . . 0.0 109.843 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.463 ' HB2' ' NE2' ' A' ' 9' ' ' HIS . 72.8 mm-40 -137.11 57.23 1.76 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.345 -0.847 . . . . 0.0 109.84 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 6' ' ' GLU . 49.1 mtt -42.37 -29.32 0.26 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.315 -0.866 . . . . 0.0 110.25 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 11' ' ' PHE . 9.1 t -101.85 108.83 20.44 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.194 -0.941 . . . . 0.0 110.191 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.463 ' NE2' ' HB2' ' A' ' 6' ' ' GLU . 25.2 m170 -111.56 -10.38 14.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.245 -0.909 . . . . 0.0 110.07 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -73.28 -44.92 58.38 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.284 -0.885 . . . . 0.0 110.226 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.609 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 37.1 m-85 -86.21 -13.57 46.52 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.282 -0.886 . . . . 0.0 110.433 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.522 ' HG3' ' CE ' ' A' ' 15' ' ' MET . 50.0 tt0 -45.23 -43.74 10.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.107 -0.995 . . . . 0.0 109.82 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.52 -19.49 48.61 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.366 -0.834 . . . . 0.0 109.907 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.585 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 15.9 m-30 -87.65 15.03 7.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.244 -0.91 . . . . 0.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.522 ' CE ' ' HG3' ' A' ' 12' ' ' GLN . 21.2 mtm -91.11 107.43 19.2 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.157 -0.964 . . . . 0.0 110.369 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 54.1 tttm -91.88 103.18 15.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.477 -0.765 . . . . 0.0 109.98 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 52.84 55.41 9.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.198 -0.939 . . . . 0.0 109.948 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.03 21.01 73.33 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 12.7 tmtt? -131.18 99.57 4.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.23 -1.159 . . . . 0.0 110.221 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 20' ' ' LEU . 4.0 tt -69.44 125.88 28.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.176 -0.952 . . . . 0.0 110.183 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.585 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 6.7 p90 -107.83 81.28 1.48 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.161 -0.962 . . . . 0.0 110.251 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 7.9 t -54.01 -43.5 96.89 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.37 -0.832 . . . . 0.0 111.496 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.2 Cg_exo -63.03 75.29 0.12 Allowed 'Trans proline' 0 C--N 1.319 -1.021 0 O-C-N 122.778 0.883 . . . . 0.0 110.527 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.501 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 17.1 tt0 -120.22 -85.71 0.65 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.391 -0.818 . . . . 0.0 110.021 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.591 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 11.0 t0 -132.11 69.21 1.48 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.276 -0.89 . . . . 0.0 110.087 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 28' ' ' PHE . 66.4 mttt -66.21 -4.97 8.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.226 -0.921 . . . . 0.0 110.717 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 26' ' ' LYS . 43.4 mttm -40.56 -27.85 0.06 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.219 -0.925 . . . . 0.0 110.282 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 19.8 m-85 -49.84 -21.26 1.08 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.285 -0.884 . . . . 0.0 110.07 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 9.0 t80 -51.2 -19.03 1.05 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.271 -0.893 . . . . 0.0 110.619 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -67.29 -5.64 15.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.185 -0.947 . . . . 0.0 110.778 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.5 m -144.44 161.3 39.38 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.008 -1.057 . . . . 0.0 110.615 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -60.94 -58.04 10.1 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.334 -0.854 . . . . 0.0 110.055 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 36' ' ' MET . 59.4 m-20 -48.92 -37.28 19.44 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.548 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.89 -45.07 34.94 Favored Glycine 0 N--CA 1.482 1.745 0 N-CA-C 108.096 -2.002 . . . . 0.0 108.096 178.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.573 HD12 ' CG ' ' A' ' 29' ' ' PHE . 6.7 mm -56.05 -32.03 32.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.349 -1.089 . . . . 0.0 109.281 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 33' ' ' ASP . 3.2 mtt -57.64 -60.97 2.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.291 -0.881 . . . . 0.0 110.312 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.99 -52.06 12.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.167 -0.958 . . . . 0.0 109.531 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.642 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 10.6 mt -51.17 -34.59 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.759 -1.213 . . . . 0.0 109.728 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 82.7 m-20 -82.64 -19.65 37.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.422 -0.799 . . . . 0.0 110.127 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' CYS . 61.2 tttp -90.52 -28.78 18.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.253 -0.904 . . . . 0.0 110.703 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.571 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 5.7 t -58.63 -74.17 0.07 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.107 -0.996 . . . . 0.0 110.584 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.3 -34.95 1.32 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.02 -1.05 . . . . 0.0 110.094 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.49 ' O ' ' CG ' ' A' ' 46' ' ' MET . 98.4 m -79.59 -24.73 41.82 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.874 . . . . 0.0 109.516 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' A' ' 41' ' ' CYS . 10.1 t -85.16 -43.51 13.77 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.48 -0.763 . . . . 0.0 109.547 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HA ' HD13 ' A' ' 48' ' ' LEU . 27.8 tttt -51.91 -45.09 64.11 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.318 -0.864 . . . . 0.0 109.867 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.5 OUTLIER -60.34 -26.83 66.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.261 -0.899 . . . . 0.0 109.931 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.468 ' HB ' ' O ' ' A' ' 44' ' ' CYS . 24.4 mm -57.49 -36.98 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.24 -0.912 . . . . 0.0 109.517 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.2 mt -72.09 -41.63 67.07 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.385 -0.822 . . . . 0.0 109.822 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -48.16 -24.21 1.07 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.222 -0.924 . . . . 0.0 109.689 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 47' ' ' ILE . 18.2 pttt -110.34 -12.74 14.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.42 -0.8 . . . . 0.0 110.09 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.469 ' OE1' HD21 ' A' ' 48' ' ' LEU . 52.0 tt0 -53.08 -29.49 30.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.181 -0.949 . . . . 0.0 109.883 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.91 161.33 25.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.342 -0.848 . . . . 0.0 110.057 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -84.56 -9.89 57.9 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.297 -0.877 . . . . 0.0 110.203 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.2 p -73.24 -21.09 60.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.286 -0.884 . . . . 0.0 110.195 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 94.9 mt-30 . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.238 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.5 mttm . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.291 0.567 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -109.83 148.36 31.64 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.191 -0.943 . . . . 0.0 110.218 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 4' ' ' ASP . 54.8 mm-40 -64.14 -24.71 67.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.263 -0.898 . . . . 0.0 110.114 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.454 ' OD1' HD13 ' A' ' 47' ' ' ILE . 9.9 t0 41.73 48.77 3.74 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.313 -0.867 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 6' ' ' GLU . 39.8 tt0 -100.48 91.28 4.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.244 -0.91 . . . . 0.0 110.119 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 9' ' ' HIS . 56.9 mt-10 57.03 45.5 20.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.215 -0.928 . . . . 0.0 110.102 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.6 mmt -61.42 -20.7 63.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.292 -0.88 . . . . 0.0 110.323 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 p -126.91 127.08 44.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 110.376 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 6' ' ' GLU . 93.5 m-70 -115.93 -19.69 10.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.292 -0.88 . . . . 0.0 110.115 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -74.74 -45.93 40.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.254 -0.904 . . . . 0.0 110.197 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.689 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 62.8 m-85 -67.19 -37.53 83.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.215 -0.928 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.497 ' O ' ' CG ' ' A' ' 15' ' ' MET . 40.2 tt0 -46.59 -48.34 19.66 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.058 -1.026 . . . . 0.0 109.053 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.94 -19.64 13.02 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.309 -0.87 . . . . 0.0 109.455 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.579 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 14.1 m-30 -89.4 12.9 14.99 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.265 -0.897 . . . . 0.0 110.405 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.545 ' O ' ' CG ' ' A' ' 15' ' ' MET . 14.0 ptm -92.76 103.92 16.24 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.055 -1.028 . . . . 0.0 110.381 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 19' ' ' LYS . 11.9 ttmt -87.3 91.96 8.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.117 -0.99 . . . . 0.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 76.0 m-20 57.67 53.15 7.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.29 -0.881 . . . . 0.0 110.178 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.49 -3.38 85.15 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . 6.6 tmtm? -101.35 102.76 13.66 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.126 -1.22 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.484 ' C ' ' CD2' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -89.83 103.99 16.59 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.252 -0.905 . . . . 0.0 110.073 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.579 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 8.0 p90 -87.54 69.21 9.76 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.139 -0.976 . . . . 0.0 110.01 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.591 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -45.11 -50.26 27.97 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.434 -0.791 . . . . 0.0 111.493 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.7 Cg_exo -59.2 78.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.315 -1.227 0 O-C-N 123.165 1.087 . . . . 0.0 110.809 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.517 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 9.3 tt0 -105.94 -89.29 0.43 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.543 -0.723 . . . . 0.0 109.488 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.58 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 41.6 t0 -130.6 70.14 1.45 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.292 -0.88 . . . . 0.0 109.532 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' PHE . 25.4 mttt -54.98 -14.39 1.47 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.341 -0.85 . . . . 0.0 111.019 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' LYS . 27.1 mmtp -41.42 -26.84 0.07 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.102 -0.998 . . . . 0.0 110.289 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 31.2 m-85 -54.12 -18.25 3.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.145 -0.972 . . . . 0.0 110.002 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.576 ' CG ' HD12 ' A' ' 35' ' ' ILE . 20.7 t80 -49.42 -20.83 0.77 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.229 -0.919 . . . . 0.0 110.448 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -70.21 -1.97 11.82 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.209 -0.932 . . . . 0.0 110.701 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.4 m -136.41 149.12 48.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.128 -0.982 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.08 -47.01 65.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.25 -0.906 . . . . 0.0 110.123 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -56.93 -41.65 78.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.375 -0.828 . . . . 0.0 109.119 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.477 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -68.51 -45.69 66.41 Favored Glycine 0 N--CA 1.485 1.944 0 N-CA-C 108.273 -1.931 . . . . 0.0 108.273 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.576 HD12 ' CG ' ' A' ' 29' ' ' PHE . 4.8 mm -55.38 -36.72 41.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 121.373 -1.075 . . . . 0.0 109.157 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.46 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 2.6 mtt -69.21 -65.41 0.71 Allowed 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.93 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.689 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -48.29 -51.14 27.19 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 119.444 -0.902 . . . . 0.0 108.934 179.753 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.587 HG13 ' CE1' ' A' ' 37' ' ' PHE . 8.1 mt -48.7 -37.67 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.152 -0.968 . . . . 0.0 109.192 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.46 ' HB2' ' O ' ' A' ' 36' ' ' MET . 2.9 m120 -73.17 -31.18 64.07 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.437 -0.789 . . . . 0.0 109.152 179.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' CYS . 18.9 mttt -77.33 -30.98 54.23 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.469 -0.769 . . . . 0.0 109.364 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.581 ' CA ' ' CZ ' ' A' ' 11' ' ' PHE . 2.2 t -41.09 -72.7 0.06 Allowed 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.556 0.693 . . . . 0.0 109.949 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.65 -32.47 59.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.609 -0.682 . . . . 0.0 110.391 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.526 ' O ' ' CG ' ' A' ' 46' ' ' MET . 25.5 m -69.08 -58.72 3.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.187 -0.946 . . . . 0.0 110.106 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.464 ' O ' HD11 ' A' ' 48' ' ' LEU . 10.6 t -49.56 -37.12 25.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.218 -0.926 . . . . 0.0 110.197 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.459 ' HA ' HD11 ' A' ' 48' ' ' LEU . 37.8 tttt -57.78 -46.9 83.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.342 -0.848 . . . . 0.0 110.49 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.569 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -66.98 -24.64 66.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.1 -1.0 . . . . 0.0 110.238 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.569 ' N ' ' HG3' ' A' ' 46' ' ' MET . 17.9 mm -63.15 -37.13 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.241 -0.912 . . . . 0.0 109.34 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 51' ' ' GLU . 1.1 mt -68.02 -36.63 80.25 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.514 -0.741 . . . . 0.0 109.631 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' LEU . 93.4 mt-10 -46.09 -25.8 0.64 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.279 -0.888 . . . . 0.0 109.085 179.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -78.62 -30.94 46.79 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.512 -0.742 . . . . 0.0 109.927 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' LEU . 78.1 mm-40 -59.63 -25.28 64.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.171 -0.956 . . . . 0.0 110.182 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.98 -23.47 41.56 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.311 -0.868 . . . . 0.0 110.173 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -74.35 -32.75 62.9 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.239 -0.913 . . . . 0.0 110.317 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -75.17 -12.3 60.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.195 -0.941 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.216 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.227 0.537 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -96.49 142.87 28.05 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.232 -0.917 . . . . 0.0 110.192 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 1.8 pm0 -54.95 -27.81 46.46 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.294 -0.879 . . . . 0.0 110.2 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.452 ' O ' ' HB3' ' A' ' 5' ' ' GLN . 58.0 m-20 56.27 35.03 25.1 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.33 -0.856 . . . . 0.0 110.229 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.48 ' HG3' ' N ' ' A' ' 6' ' ' GLU . 17.5 pt20 -177.14 -32.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.293 -0.88 . . . . 0.0 110.246 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 5' ' ' GLN . 59.1 mt-10 -115.84 90.34 3.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.285 -0.885 . . . . 0.0 110.229 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.494 ' CE ' ' HA ' ' A' ' 7' ' ' MET . 32.6 mmt -42.52 -49.61 5.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.305 -0.872 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' A' ' 11' ' ' PHE . 42.5 t -78.76 147.95 33.17 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.287 -0.883 . . . . 0.0 110.147 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -162.49 -36.67 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.248 -0.907 . . . . 0.0 110.324 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.439 ' CG ' ' CD2' ' A' ' 11' ' ' PHE . 16.0 pt-20 -85.62 -25.41 26.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.301 -0.874 . . . . 0.0 110.284 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 79.7 m-85 -83.52 -18.24 39.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.194 -0.942 . . . . 0.0 110.127 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.463 ' O ' ' HE1' ' A' ' 15' ' ' MET . 29.9 tt0 -44.65 -45.82 9.85 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.208 -0.933 . . . . 0.0 109.881 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.49 -19.55 57.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.291 -0.881 . . . . 0.0 110.042 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.582 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 17.0 m-30 -88.66 15.18 8.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.204 -0.935 . . . . 0.0 110.455 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.478 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 23.3 mtm -86.11 128.41 34.87 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.119 -0.988 . . . . 0.0 110.426 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -112.09 99.65 8.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.473 -0.767 . . . . 0.0 110.052 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 52.67 52.11 14.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.241 -0.912 . . . . 0.0 110.005 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.49 18.34 79.87 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' A' ' 19' ' ' LYS . 3.4 tmmm? -128.13 99.97 5.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.209 -1.171 . . . . 0.0 110.224 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.534 ' CD1' ' O ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -81.83 115.93 21.27 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.304 -0.872 . . . . 0.0 109.979 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.582 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 9.5 p90 -94.42 86.07 4.76 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.166 -0.959 . . . . 0.0 109.999 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.633 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 2.1 t -57.64 -42.84 97.71 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.359 -0.838 . . . . 0.0 111.528 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 2.7 Cg_endo -66.08 82.75 0.26 Allowed 'Trans proline' 0 C--N 1.315 -1.23 0 O-C-N 122.805 0.898 . . . . 0.0 111.132 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.53 ' OE1' ' CD2' ' A' ' 14' ' ' PHE . 4.2 pt20 -128.96 -110.44 0.27 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.106 -0.996 . . . . 0.0 109.711 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.575 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 39.1 m-20 -90.5 67.64 6.58 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.801 -1.187 . . . . 0.0 110.007 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 4.2 mtmp? -65.19 -5.62 7.32 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.191 -0.943 . . . . 0.0 111.055 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' LYS . 63.5 mmtt -44.33 -25.22 0.22 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.007 -1.058 . . . . 0.0 110.064 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.575 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 21.6 m-85 -48.15 -22.24 0.61 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.277 -0.89 . . . . 0.0 110.275 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 14.5 t80 -55.75 -15.91 3.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.227 -0.921 . . . . 0.0 110.56 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -68.33 -7.65 33.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.156 -0.965 . . . . 0.0 110.825 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.47 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 16.7 t -148.0 164.13 34.73 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.027 -1.045 . . . . 0.0 110.602 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.427 ' HA ' ' HB ' ' A' ' 35' ' ' ILE . 1.8 tm? -68.06 -53.84 22.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.294 -0.879 . . . . 0.0 110.149 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 36' ' ' MET . 55.8 t0 -54.79 -41.54 70.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.289 -0.882 . . . . 0.0 108.81 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.521 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.09 -37.49 60.0 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 107.785 -2.126 . . . . 0.0 107.785 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.576 HD12 ' CG ' ' A' ' 29' ' ' PHE . 1.7 mm -60.12 -39.54 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.571 -0.958 . . . . 0.0 109.441 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.458 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 68.2 mmm -43.38 -51.02 6.69 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.343 -0.848 . . . . 0.0 110.199 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -47.12 -47.31 23.35 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.184 -0.948 . . . . 0.0 109.566 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.636 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 8.9 mt -52.09 -39.21 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.766 -1.209 . . . . 0.0 109.78 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 36' ' ' MET . 96.7 m-20 -65.0 -39.23 93.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.358 -0.839 . . . . 0.0 109.843 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 44' ' ' CYS . 17.2 mttt -84.78 -22.47 29.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.442 -0.786 . . . . 0.0 110.022 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.489 ' SG ' ' CE1' ' A' ' 11' ' ' PHE . 1.2 t -60.21 -60.13 4.3 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.279 -0.888 . . . . 0.0 110.072 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.423 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -63.56 -31.52 72.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.299 -0.875 . . . . 0.0 110.236 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.522 ' O ' ' CG ' ' A' ' 46' ' ' MET . 91.5 m -79.71 -27.54 40.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.185 -0.947 . . . . 0.0 110.178 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.458 ' HA ' HG12 ' A' ' 47' ' ' ILE . 15.7 t -88.51 -46.45 9.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.235 -0.915 . . . . 0.0 110.19 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.53 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -53.67 -26.9 24.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.209 -0.932 . . . . 0.0 110.216 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.522 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -77.52 -24.43 49.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.324 -0.86 . . . . 0.0 109.69 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.5 ' N ' ' HG3' ' A' ' 46' ' ' MET . 16.8 mm -64.51 -24.87 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.362 -0.836 . . . . 0.0 109.619 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.513 HD23 ' N ' ' A' ' 48' ' ' LEU . 2.6 mm? -82.02 -39.43 23.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.331 -0.856 . . . . 0.0 109.645 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.25 -26.73 67.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.414 -0.804 . . . . 0.0 110.195 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -60.75 -46.94 88.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.229 -0.919 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -54.14 -26.44 27.64 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.221 -0.925 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.77 -20.91 45.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.284 -0.885 . . . . 0.0 110.222 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -74.87 -27.6 60.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.27 -0.894 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 t -72.69 -17.32 61.65 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.2 -0.938 . . . . 0.0 110.212 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.227 179.92 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 88.5 mttt . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.185 0.516 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -118.74 143.32 46.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.302 -0.874 . . . . 0.0 110.24 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -61.04 -26.34 67.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.233 -0.917 . . . . 0.0 110.0 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -72.59 -5.16 35.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.353 -0.842 . . . . 0.0 110.04 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -87.58 -39.94 14.67 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.328 -0.858 . . . . 0.0 109.153 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.459 ' HB3' HD12 ' A' ' 47' ' ' ILE . 48.1 mm-40 -93.39 -7.3 45.04 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.557 0.694 . . . . 0.0 109.171 178.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.44 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 37.4 mtm 50.58 65.16 1.54 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.559 -0.713 . . . . 0.0 110.405 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 7' ' ' MET . 54.4 m -152.78 109.37 3.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.257 -0.902 . . . . 0.0 110.171 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -127.35 -50.7 1.4 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.306 -0.871 . . . . 0.0 110.226 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -66.75 -45.58 78.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.254 -0.904 . . . . 0.0 110.22 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.569 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 69.4 m-85 -59.64 -47.13 86.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.259 -0.9 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 15' ' ' MET . 14.2 tt0 -48.29 -37.96 17.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.052 -1.03 . . . . 0.0 109.596 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.55 -15.5 63.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.337 -0.852 . . . . 0.0 109.538 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.583 ' O ' ' CD2' ' A' ' 21' ' ' PHE . 14.8 m-30 -85.09 15.07 4.36 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.358 -0.839 . . . . 0.0 110.042 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 82.4 mtp -85.93 89.13 7.7 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.164 -0.96 . . . . 0.0 110.028 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 19' ' ' LYS . 76.4 tttt -79.97 103.33 9.78 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.413 -0.804 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 55.14 59.1 4.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.194 -0.941 . . . . 0.0 109.847 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.96 21.66 63.8 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 11.1 tmtt? -126.09 96.01 4.59 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.334 -1.098 . . . . 0.0 110.16 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 45' ' ' LYS . 8.0 tp -73.59 108.84 6.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.23 -0.918 . . . . 0.0 110.068 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 14' ' ' PHE . 27.8 p90 -96.06 76.3 3.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.172 -0.955 . . . . 0.0 110.06 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.59 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -58.23 -47.42 98.85 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.371 -0.831 . . . . 0.0 111.506 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.61 83.86 0.11 Allowed 'Trans proline' 0 C--N 1.314 -1.259 0 O-C-N 123.247 1.13 . . . . 0.0 110.973 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.507 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 14.5 tt0 -124.29 -78.76 0.6 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.459 -0.776 . . . . 0.0 109.878 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.585 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 26.5 t0 -129.73 74.14 1.57 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.441 -0.787 . . . . 0.0 109.926 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 16.6 mttt -66.38 -5.22 10.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.187 -0.946 . . . . 0.0 110.774 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LYS . 44.4 mttp -42.53 -26.56 0.12 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.056 -1.028 . . . . 0.0 110.215 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 21.5 m-85 -53.11 -18.85 2.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -0.878 . . . . 0.0 110.114 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.593 ' CD2' HG13 ' A' ' 35' ' ' ILE . 3.5 t80 -55.87 -18.06 7.92 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.298 -0.877 . . . . 0.0 110.534 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -63.67 -12.58 35.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.141 -0.974 . . . . 0.0 110.81 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.46 ' O ' ' HB ' ' A' ' 35' ' ' ILE . 13.6 t -133.51 154.09 51.11 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.043 -1.036 . . . . 0.0 110.672 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 35' ' ' ILE . 1.3 tt -61.4 -32.51 72.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.279 -0.888 . . . . 0.0 109.967 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -82.88 -40.11 20.67 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.393 -0.817 . . . . 0.0 109.701 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.544 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -73.16 -33.17 59.54 Favored Glycine 0 N--CA 1.486 1.973 0 N-CA-C 108.631 -1.788 . . . . 0.0 108.631 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.593 HG13 ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -74.11 -41.72 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.412 -1.052 . . . . 0.0 109.373 179.254 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.546 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 13.5 mtp -40.67 -40.88 1.39 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.914 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.636 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -50.27 -41.61 50.78 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.945 179.586 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.636 ' CG1' ' CE1' ' A' ' 37' ' ' PHE . 29.7 mt -53.71 -46.19 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.956 -1.09 . . . . 0.0 109.233 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.45 ' O ' ' OG1' ' A' ' 43' ' ' THR . 93.6 m-20 -59.14 -33.59 71.07 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.638 -0.663 . . . . 0.0 109.921 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 41.7 mttt -90.61 -24.97 20.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.379 -0.826 . . . . 0.0 109.937 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.533 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 7.3 t -50.22 -75.34 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.287 -0.883 . . . . 0.0 110.192 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.455 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -52.76 -38.71 61.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.353 -0.842 . . . . 0.0 110.166 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.524 ' O ' ' CG ' ' A' ' 46' ' ' MET . 11.0 m -62.29 -59.64 4.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.211 -0.931 . . . . 0.0 109.957 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.469 ' O ' HD21 ' A' ' 48' ' ' LEU . 94.5 m -44.11 -42.89 6.59 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.161 -0.962 . . . . 0.0 109.855 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 27.2 tttt -52.5 -44.54 65.74 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.287 -0.883 . . . . 0.0 110.198 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.568 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -72.83 -23.32 60.75 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.077 -1.015 . . . . 0.0 110.026 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.568 ' N ' ' HG3' ' A' ' 46' ' ' MET . 44.1 mm -61.25 -39.91 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.349 -0.844 . . . . 0.0 109.425 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.517 HD23 ' N ' ' A' ' 48' ' ' LEU . 3.4 mm? -66.98 -39.99 87.31 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.452 -0.78 . . . . 0.0 109.322 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -60.3 -23.78 64.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.452 -0.78 . . . . 0.0 109.923 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 46' ' ' MET . 48.7 mttm -66.04 -39.86 90.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.33 -0.856 . . . . 0.0 110.172 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -53.56 -25.24 16.27 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.296 -0.877 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 55' ' ' GLN . . . -79.28 141.73 36.79 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.168 -0.957 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -60.15 -15.6 25.29 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.264 -0.898 . . . . 0.0 110.201 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.3 p -68.89 -22.62 64.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.21 -0.931 . . . . 0.0 110.211 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 50' ' ' LYS . 47.0 tt0 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.2 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.25 0.548 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -93.59 134.68 35.62 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.256 -0.902 . . . . 0.0 110.205 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.97 -24.87 63.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.194 -0.941 . . . . 0.0 110.178 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 66.1 t0 -75.1 -26.15 59.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.301 -0.874 . . . . 0.0 110.208 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.491 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 70.2 mt-30 58.82 -85.26 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.389 -0.819 . . . . 0.0 109.649 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 4' ' ' ASP . 81.7 mt-10 -68.76 60.61 0.1 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.188 -0.945 . . . . 0.0 109.09 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.457 ' SD ' HG22 ' A' ' 47' ' ' ILE . 81.6 mtp -39.75 -40.26 0.91 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.614 -0.679 . . . . 0.0 110.545 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.4 m -94.51 141.42 28.61 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.882 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.532 ' CE1' ' HG3' ' A' ' 10' ' ' GLU . 27.1 p80 -111.9 -13.42 13.65 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.307 -0.87 . . . . 0.0 110.159 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.532 ' HG3' ' CE1' ' A' ' 9' ' ' HIS . 72.7 mt-10 -77.47 -45.51 25.43 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.251 -0.905 . . . . 0.0 110.139 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.529 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 51.6 m-85 -77.2 -16.79 58.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.208 -0.933 . . . . 0.0 110.268 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.467 ' O ' ' HE1' ' A' ' 15' ' ' MET . 39.1 tt0 -47.32 -37.42 10.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.049 -1.032 . . . . 0.0 109.785 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.7 -14.79 62.59 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.219 -0.926 . . . . 0.0 109.849 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.587 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 8.7 m-30 -87.5 16.96 4.89 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.209 -0.932 . . . . 0.0 109.949 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.467 ' HE1' ' O ' ' A' ' 12' ' ' GLN . 52.8 mtm -85.98 144.3 27.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.272 -0.892 . . . . 0.0 110.465 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.574 ' HB2' ' CD2' ' A' ' 21' ' ' PHE . 2.9 tttp -125.84 96.38 4.74 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.491 -0.756 . . . . 0.0 109.809 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 51.37 48.65 22.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.245 -0.909 . . . . 0.0 109.719 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.99 16.31 77.14 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 16' ' ' LYS . 8.3 tmtt? -129.22 109.4 11.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.259 -1.142 . . . . 0.0 110.236 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.521 HD22 ' N ' ' A' ' 21' ' ' PHE . 2.0 tt -80.62 124.41 28.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.181 -0.95 . . . . 0.0 110.137 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 9.0 p90 -107.01 75.72 1.05 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.216 -0.927 . . . . 0.0 109.971 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.589 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 2.2 t -51.96 -45.4 92.92 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.42 -0.8 . . . . 0.0 111.325 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -61.83 70.36 0.1 Allowed 'Trans proline' 0 C--N 1.318 -1.044 0 O-C-N 122.912 0.954 . . . . 0.0 110.804 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 22' ' ' CYS . 11.5 tt0 -106.91 -74.02 0.67 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.354 -0.841 . . . . 0.0 109.754 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.584 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 50.4 m-20 -146.48 65.38 1.19 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.507 -0.745 . . . . 0.0 109.552 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.53 ' CA ' HD13 ' A' ' 38' ' ' ILE . 83.7 mttt -57.85 -12.16 2.9 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.377 -0.827 . . . . 0.0 110.966 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' LYS . 70.8 mmtt -41.58 -27.1 0.09 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.248 -0.907 . . . . 0.0 110.162 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 15.4 m-85 -52.29 -25.85 10.56 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.227 -0.921 . . . . 0.0 110.015 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CE1' ' CD1' ' A' ' 35' ' ' ILE . 62.4 t80 -41.35 -26.29 0.06 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.404 -0.81 . . . . 0.0 110.519 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 28' ' ' PHE . 36.9 mt-30 -65.36 -7.39 13.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.243 -0.911 . . . . 0.0 110.64 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -130.51 149.96 51.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.118 -0.989 . . . . 0.0 110.275 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.5 tp -47.03 -55.19 8.64 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.202 -0.936 . . . . 0.0 110.174 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -50.72 -38.02 44.94 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.223 -0.923 . . . . 0.0 108.579 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -73.23 -44.3 35.56 Favored Glycine 0 N--CA 1.483 1.795 0 N-CA-C 107.859 -2.096 . . . . 0.0 107.859 178.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.594 ' CD1' ' CE1' ' A' ' 29' ' ' PHE . 1.7 mm -55.35 -36.71 41.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.301 -1.117 . . . . 0.0 108.742 178.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' PHE . 12.8 mmm -74.41 -64.97 0.91 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.629 -0.829 . . . . 0.0 110.015 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -44.96 -50.23 10.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.133 -0.98 . . . . 0.0 109.043 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.614 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 22.2 mm -47.82 -41.44 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.867 -1.146 . . . . 0.0 109.305 178.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 5.5 m120 -71.18 -31.23 67.39 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.526 -0.734 . . . . 0.0 110.011 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HA ' ' HB ' ' A' ' 43' ' ' THR . 16.3 mtpt -84.85 -17.97 36.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.867 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.435 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -55.5 -63.83 1.04 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.107 -0.996 . . . . 0.0 110.199 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.471 ' O ' ' HG2' ' A' ' 46' ' ' MET . . . -75.54 -30.91 59.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 110.217 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.467 ' HB ' ' HA ' ' A' ' 40' ' ' LYS . 98.2 m -69.22 -31.82 70.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.378 -0.826 . . . . 0.0 110.335 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 88.7 m -86.09 -39.89 16.28 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.213 -0.93 . . . . 0.0 109.963 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.458 ' HA ' HD13 ' A' ' 48' ' ' LEU . 11.1 ttmm -55.0 -46.25 75.15 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.191 -0.943 . . . . 0.0 109.729 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -58.9 -31.09 68.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.319 -0.863 . . . . 0.0 110.107 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 43' ' ' THR . 14.6 mm -56.48 -37.94 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.24 -0.912 . . . . 0.0 109.602 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.8 mt -68.77 -41.38 78.9 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.37 -0.831 . . . . 0.0 109.681 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -49.23 -23.13 1.22 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.716 -0.794 . . . . 0.0 109.631 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -78.84 -31.26 45.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.425 -0.797 . . . . 0.0 109.893 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.03 -21.8 65.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.23 -0.919 . . . . 0.0 110.122 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.32 -21.73 55.83 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.295 -0.878 . . . . 0.0 110.192 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -81.95 -28.26 32.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.187 -0.946 . . . . 0.0 110.194 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.3 m 49.06 49.09 20.06 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.191 -0.943 . . . . 0.0 110.118 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.232 179.972 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.242 0.544 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -70.43 156.48 39.29 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.294 -0.879 . . . . 0.0 110.19 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -71.92 -22.48 61.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.321 -0.862 . . . . 0.0 110.159 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 6' ' ' GLU . 98.7 m-20 -71.98 -31.89 66.71 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.299 -0.876 . . . . 0.0 110.204 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.472 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 18.9 tt0 63.33 -70.52 0.06 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.381 -0.825 . . . . 0.0 110.529 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 4' ' ' ASP . 78.6 mm-40 -58.37 -29.97 66.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.276 -0.89 . . . . 0.0 110.269 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.517 ' HE3' ' CG ' ' A' ' 9' ' ' HIS . 18.6 ttt 56.16 104.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.3 -0.875 . . . . 0.0 110.209 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' HIS . 0.9 OUTLIER -77.26 1.89 17.25 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.238 -0.913 . . . . 0.0 110.184 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.517 ' CG ' ' HE3' ' A' ' 7' ' ' MET . 84.2 t60 -41.65 -41.46 2.23 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.321 -0.862 . . . . 0.0 110.301 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -56.2 -41.86 76.26 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.168 -0.958 . . . . 0.0 110.155 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.576 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 7.3 m-85 -97.27 -9.44 27.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.163 -0.961 . . . . 0.0 110.2 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.471 ' O ' ' HG2' ' A' ' 15' ' ' MET . 5.7 tp60 -46.23 -28.62 1.32 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.09 -1.006 . . . . 0.0 109.607 179.778 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.22 -23.82 61.29 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.273 -0.892 . . . . 0.0 109.702 179.618 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.589 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 10.5 m-85 -90.39 18.56 6.01 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.317 -0.865 . . . . 0.0 110.142 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.529 ' O ' ' CG ' ' A' ' 15' ' ' MET . 19.6 ptt? -95.99 119.89 35.29 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.172 -0.955 . . . . 0.0 110.299 -179.824 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 84.8 tttt -96.52 89.72 5.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.184 -0.948 . . . . 0.0 110.105 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.438 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 16.7 t-20 64.08 52.48 2.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.24 -0.912 . . . . 0.0 110.23 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.22 -1.54 75.1 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -107.21 102.83 12.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.183 -1.186 . . . . 0.0 110.211 -179.961 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 20' ' ' LEU . 1.5 tm? -82.0 114.92 20.9 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.223 -0.923 . . . . 0.0 110.18 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.589 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 11.6 p90 -97.37 86.72 3.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -0.912 . . . . 0.0 109.849 179.529 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.583 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 2.7 t -50.79 -45.91 86.74 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.336 -0.853 . . . . 0.0 111.183 -179.847 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -62.38 82.11 0.1 Allowed 'Trans proline' 0 C--N 1.318 -1.063 0 O-C-N 122.859 0.926 . . . . 0.0 110.802 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.452 ' O ' ' HB3' ' A' ' 25' ' ' ASP . 12.4 tt0 -129.96 77.59 1.8 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.323 -0.86 . . . . 0.0 109.591 179.481 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 35.2 t0 56.45 54.57 7.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.371 -0.831 . . . . 0.0 109.583 -179.38 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 75.8 mttt -57.13 -12.41 2.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.428 -0.795 . . . . 0.0 110.888 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 66.2 mmtt -40.69 -26.08 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.283 -0.886 . . . . 0.0 110.439 179.781 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 8.2 m-85 -41.4 -28.11 0.11 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.375 -0.828 . . . . 0.0 109.888 179.735 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CD2' HD12 ' A' ' 35' ' ' ILE . 6.1 t80 -41.95 -25.63 0.07 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.413 -0.805 . . . . 0.0 110.611 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' PHE . 28.5 mt-30 -63.93 -8.9 12.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.237 -0.914 . . . . 0.0 110.584 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 71.1 m -136.66 146.73 46.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.123 -0.986 . . . . 0.0 110.439 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tt -47.06 -57.72 4.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.264 -0.898 . . . . 0.0 110.008 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -51.32 -35.95 40.43 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.407 -0.808 . . . . 0.0 108.858 179.604 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.526 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -73.29 -42.93 40.58 Favored Glycine 0 N--CA 1.485 1.956 0 N-CA-C 108.227 -1.949 . . . . 0.0 108.227 178.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.573 HD12 ' CD2' ' A' ' 29' ' ' PHE . 2.5 mm -59.17 -34.61 54.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.268 -1.137 . . . . 0.0 109.464 179.221 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.459 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 8.5 mtp -62.01 -59.52 4.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.266 -0.896 . . . . 0.0 110.224 179.69 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.655 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.33 -54.18 4.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.23 -0.919 . . . . 0.0 109.538 -179.7 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.655 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 9.8 mt -50.52 -39.1 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.758 -1.214 . . . . 0.0 109.667 179.291 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 36' ' ' MET . 46.4 m-20 -62.43 -38.54 90.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.334 -0.853 . . . . 0.0 109.577 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 44' ' ' CYS . 7.9 mttp -87.65 -18.37 29.75 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.487 -0.758 . . . . 0.0 109.882 179.528 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -56.22 -67.74 0.27 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.303 -0.873 . . . . 0.0 110.172 179.936 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 46' ' ' MET . . . -66.12 -27.83 68.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.248 -0.907 . . . . 0.0 110.476 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.508 ' O ' ' CG ' ' A' ' 46' ' ' MET . 77.6 m -80.14 -18.87 48.6 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.142 -0.974 . . . . 0.0 110.217 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 40' ' ' LYS . 54.1 t -92.3 -51.84 4.96 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.287 -0.883 . . . . 0.0 110.301 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.529 ' HG3' ' N ' ' A' ' 46' ' ' MET . 2.2 ptpt -53.3 -25.99 16.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.201 -0.937 . . . . 0.0 109.931 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.529 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -73.97 -25.43 59.93 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.341 -0.849 . . . . 0.0 109.891 179.867 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.51 ' CD1' ' SD ' ' A' ' 46' ' ' MET . 8.8 mm -71.23 -33.93 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.309 -0.869 . . . . 0.0 109.546 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.464 HD11 ' HB3' ' A' ' 20' ' ' LEU . 1.1 mt -69.19 -42.42 75.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.478 -0.764 . . . . 0.0 109.843 179.636 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -46.0 -25.21 0.52 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.868 . . . . 0.0 109.741 179.621 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -72.05 -27.4 62.67 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.385 -0.822 . . . . 0.0 110.016 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 48' ' ' LEU . 74.6 tt0 -74.84 -27.5 60.3 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.32 -0.862 . . . . 0.0 110.308 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.74 -23.69 45.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.185 -0.947 . . . . 0.0 110.168 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -76.18 -29.05 57.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.236 -0.915 . . . . 0.0 110.23 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 67.3 m -78.13 -23.05 47.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.232 -0.917 . . . . 0.0 110.216 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.445 ' HA ' ' OE1' ' A' ' 55' ' ' GLN . 5.2 tp60 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.214 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.69 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 61.2 m-85 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.147 0.499 . . . . 0.0 110.18 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.477 ' O ' ' CG ' ' A' ' 15' ' ' MET . 38.3 tt0 -46.46 -45.54 18.3 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.116 -0.99 . . . . 0.0 109.213 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.89 -18.83 36.64 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.3 -0.875 . . . . 0.0 109.753 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.64 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 15.3 m-30 -87.34 12.04 12.95 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 0.0 110.469 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.538 ' CG ' ' O ' ' A' ' 15' ' ' MET . 7.9 ptt? -98.83 117.95 34.48 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.049 -1.032 . . . . 0.0 110.625 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 19' ' ' LYS . 17.8 tptm -98.88 85.95 3.39 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.186 -0.946 . . . . 0.0 109.853 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 77.1 m-20 59.39 52.13 6.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.483 -0.76 . . . . 0.0 110.593 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.66 -8.8 78.21 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 15' ' ' MET . 0.0 OUTLIER -99.55 111.61 23.93 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.096 -1.238 . . . . 0.0 110.405 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.731 HD13 ' HA ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -95.61 103.56 15.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.175 -0.953 . . . . 0.0 110.138 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.64 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 8.3 p90 -90.73 65.36 5.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.201 -0.937 . . . . 0.0 110.017 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.604 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -50.98 -46.92 87.98 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.448 -0.783 . . . . 0.0 111.48 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.2 Cg_exo -63.82 84.45 0.14 Allowed 'Trans proline' 0 C--N 1.314 -1.258 0 O-C-N 123.19 1.1 . . . . 0.0 110.716 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.521 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 18.0 tt0 -121.7 -83.94 0.66 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.333 -0.854 . . . . 0.0 110.068 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.583 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 10.7 t0 -126.61 70.95 1.27 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.314 -0.866 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.681 ' O ' HD11 ' A' ' 38' ' ' ILE . 58.1 mttt -65.0 -7.03 10.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.202 -0.937 . . . . 0.0 110.77 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' LYS . 85.0 mttt -41.83 -27.25 0.11 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.126 -0.983 . . . . 0.0 110.107 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 20.5 m-85 -53.59 -19.49 3.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.253 -0.904 . . . . 0.0 109.867 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.695 ' CE1' HD11 ' A' ' 35' ' ' ILE . 19.4 t80 -46.93 -24.17 0.56 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.343 -0.848 . . . . 0.0 110.078 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.76 -5.0 18.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.381 -0.824 . . . . 0.0 110.46 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.7 m -130.08 165.12 22.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.127 -0.983 . . . . 0.0 110.222 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' ' 32' ' ' LEU . 4.1 tt -64.58 -50.76 65.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.252 -0.905 . . . . 0.0 110.154 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -55.2 -39.59 69.79 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.367 -0.833 . . . . 0.0 109.118 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.04 -48.75 45.44 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 108.241 -1.944 . . . . 0.0 108.241 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.695 HD11 ' CE1' ' A' ' 29' ' ' PHE . 4.0 mm -55.06 -35.38 34.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.297 -1.119 . . . . 0.0 109.037 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.471 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 26.6 mmm -74.06 -65.13 0.88 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.44 -0.787 . . . . 0.0 109.996 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -46.06 -50.53 15.06 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.123 -0.986 . . . . 0.0 108.844 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.681 HD11 ' O ' ' A' ' 26' ' ' LYS . 6.8 mt -51.44 -39.43 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.115 -0.99 . . . . 0.0 109.477 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 98.3 m-20 -67.2 -35.91 80.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -0.86 . . . . 0.0 109.237 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -83.63 -14.56 51.67 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.53 -0.731 . . . . 0.0 109.433 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 8.1 t -65.26 -71.61 0.18 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.425 -0.797 . . . . 0.0 109.645 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.32 -30.33 4.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.522 -0.736 . . . . 0.0 109.823 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 46' ' ' MET . 91.9 m -80.05 -53.57 6.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.298 -0.876 . . . . 0.0 109.654 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.501 ' HA ' HG13 ' A' ' 47' ' ' ILE . 12.8 t -52.19 -26.12 10.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.277 -0.889 . . . . 0.0 109.878 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.731 ' HA ' HD13 ' A' ' 20' ' ' LEU . 28.7 tttt -67.74 -48.3 66.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.332 -0.855 . . . . 0.0 110.061 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.545 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -63.68 -22.65 67.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.247 -0.908 . . . . 0.0 109.901 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.545 ' N ' ' HG3' ' A' ' 46' ' ' MET . 34.8 mm -60.19 -38.13 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.378 -0.826 . . . . 0.0 109.552 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.727 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.5 mm? . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.381 -0.824 . . . . 0.0 109.864 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.592 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 39.5 m-85 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.114 0.483 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 15' ' ' MET . 49.4 tt0 -46.57 -26.18 0.84 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.028 -1.045 . . . . 0.0 109.783 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.84 -22.39 59.79 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.248 -0.908 . . . . 0.0 109.767 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.618 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 13.5 m-85 -90.32 17.81 6.79 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.303 -0.873 . . . . 0.0 110.278 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.542 ' CG ' ' O ' ' A' ' 15' ' ' MET . 21.3 ptm -98.95 118.22 35.24 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.096 -1.002 . . . . 0.0 110.562 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 10.9 tttt -96.89 85.46 3.78 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.193 -0.942 . . . . 0.0 109.9 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 75.4 m-20 59.04 53.97 5.24 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.405 -0.809 . . . . 0.0 110.658 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.46 -16.29 58.1 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 15' ' ' MET . 1.7 tmtp? -92.73 129.64 38.59 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.097 -1.237 . . . . 0.0 110.094 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.582 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.2 tt -109.01 110.18 21.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.136 -0.977 . . . . 0.0 110.379 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 11.0 p90 -96.9 63.53 1.96 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.234 -0.916 . . . . 0.0 109.861 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.61 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.6 OUTLIER -51.53 -45.89 90.73 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.482 -0.761 . . . . 0.0 111.548 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.0 Cg_exo -65.3 79.09 0.23 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.171 1.09 . . . . 0.0 111.201 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 22' ' ' CYS . 5.6 pt20 -122.19 -112.96 0.32 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.129 -0.982 . . . . 0.0 109.461 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 20.0 t70 -93.29 69.3 4.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.869 -1.145 . . . . 0.0 109.73 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 28' ' ' PHE . 15.6 mtpt -68.0 -3.71 10.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.275 -0.891 . . . . 0.0 110.839 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LYS . 58.6 mttp -42.69 -26.34 0.12 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.161 -0.962 . . . . 0.0 110.236 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 24.7 m-85 -46.35 -23.86 0.41 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.254 -0.904 . . . . 0.0 110.316 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.51 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 18.2 t80 -42.5 -25.0 0.07 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.211 -0.93 . . . . 0.0 110.78 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' PHE . 20.3 pt20 -72.14 0.13 10.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.176 -0.953 . . . . 0.0 110.738 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -137.06 158.83 43.56 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.1 -1.0 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.69 -52.04 66.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 110.181 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -53.51 -35.65 60.89 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.288 -0.882 . . . . 0.0 109.11 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.464 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -70.84 -52.08 16.5 Favored Glycine 0 N--CA 1.486 2.015 0 N-CA-C 108.292 -1.923 . . . . 0.0 108.292 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.503 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 3.7 mm -53.63 -31.45 19.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 O-C-N 121.206 -1.173 . . . . 0.0 108.986 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.454 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 7.3 mmt -74.37 -66.51 0.72 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.361 -0.837 . . . . 0.0 110.025 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.622 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.65 -49.71 14.12 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.029 -1.044 . . . . 0.0 108.994 179.777 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.622 ' CG1' ' CE1' ' A' ' 37' ' ' PHE . 9.3 mt -51.91 -37.57 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.072 -1.018 . . . . 0.0 109.554 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 98.8 m-20 -70.15 -37.76 75.33 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.347 -0.846 . . . . 0.0 109.684 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.5 ' HA ' ' HB ' ' A' ' 43' ' ' THR . 39.9 mttt -83.51 -17.87 40.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.516 -0.74 . . . . 0.0 109.398 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.545 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 42.8 t -50.14 -68.07 0.2 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.497 -0.752 . . . . 0.0 110.157 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.75 74.56 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.453 -0.779 . . . . 0.0 110.388 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 46' ' ' MET . 98.4 m -69.36 -37.66 77.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.237 -0.915 . . . . 0.0 110.071 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.519 ' HA ' HG12 ' A' ' 47' ' ' ILE . 97.7 m -76.69 -29.68 56.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.265 -0.897 . . . . 0.0 109.728 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.582 ' HA ' HD13 ' A' ' 20' ' ' LEU . 31.3 tttt -62.81 -44.26 96.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.331 -0.855 . . . . 0.0 109.939 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.525 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -63.9 -25.17 68.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.278 -0.888 . . . . 0.0 109.89 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.519 HG12 ' HA ' ' A' ' 44' ' ' CYS . 20.7 mm -57.16 -42.38 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.385 -0.822 . . . . 0.0 109.768 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.688 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? . . . . . 0 N--CA 1.489 1.505 0 O-C-N 121.311 -0.868 . . . . 0.0 109.944 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.599 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 59.9 m-85 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.15 0.5 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.455 ' O ' ' HG2' ' A' ' 15' ' ' MET . 61.0 tt0 -46.45 -39.48 10.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.146 -0.971 . . . . 0.0 109.453 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.52 -20.25 64.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.396 -0.815 . . . . 0.0 109.762 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.633 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 7.1 m-30 -92.6 17.62 9.91 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.337 -0.852 . . . . 0.0 110.46 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.551 ' CG ' ' O ' ' A' ' 15' ' ' MET . 21.2 ptm -99.05 115.9 30.05 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.012 -1.055 . . . . 0.0 110.794 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -95.98 87.62 4.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.193 -0.942 . . . . 0.0 109.782 179.584 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 76.2 m-20 58.4 51.88 7.77 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.89 . . . . 0.0 110.285 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.13 -11.56 66.99 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.49 ' C ' ' CD ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -95.71 111.25 23.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.022 -1.281 . . . . 0.0 110.297 -179.83 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 21' ' ' PHE . 1.5 tt -93.27 114.77 27.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.098 -1.001 . . . . 0.0 110.227 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.633 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 7.4 p90 -99.11 69.27 1.72 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.141 -0.974 . . . . 0.0 110.04 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.61 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -48.75 -48.89 69.12 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.517 -0.74 . . . . 0.0 111.45 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.4 Cg_exo -61.99 83.12 0.1 OUTLIER 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.247 1.13 . . . . 0.0 110.784 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.495 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 13.1 tt0 -126.56 -77.11 0.58 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.455 -0.778 . . . . 0.0 109.867 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.586 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 29.8 t0 -136.28 76.91 1.63 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.364 -0.835 . . . . 0.0 110.041 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.588 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 30.8 mtpt -68.84 -2.71 10.2 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.199 -0.938 . . . . 0.0 110.826 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 26' ' ' LYS . 71.4 mttt -41.69 -27.98 0.13 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.151 -0.968 . . . . 0.0 110.188 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.587 ' HB3' ' CA ' ' A' ' 34' ' ' GLY . 22.9 m-85 -48.77 -21.57 0.65 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.412 -0.805 . . . . 0.0 110.381 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.588 ' HB2' HD11 ' A' ' 38' ' ' ILE . 9.7 t80 -53.02 -18.17 1.87 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.224 -0.922 . . . . 0.0 110.498 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -68.74 -4.34 15.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.15 -0.969 . . . . 0.0 110.877 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 35' ' ' ILE . 34.5 m -144.45 160.69 40.66 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.024 -1.048 . . . . 0.0 110.557 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.78 -59.83 4.76 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.276 -0.89 . . . . 0.0 109.851 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -50.95 -37.43 44.37 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.587 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.75 -39.6 54.97 Favored Glycine 0 N--CA 1.483 1.801 0 N-CA-C 108.161 -1.976 . . . . 0.0 108.161 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' SER . 2.0 mm -59.64 -36.3 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.496 -1.002 . . . . 0.0 109.601 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' PHE . 33.8 mmt -54.07 -55.75 24.53 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.321 -0.862 . . . . 0.0 110.349 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.632 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.86 -52.72 6.58 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.174 -0.953 . . . . 0.0 109.727 -179.758 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.632 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 7.6 mt -51.24 -36.89 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.806 -1.184 . . . . 0.0 109.85 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.02 -31.69 69.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 109.857 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.452 ' HA ' ' HB ' ' A' ' 43' ' ' THR . 53.5 mttt -95.49 -15.09 23.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.321 -0.862 . . . . 0.0 109.869 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.545 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 17.9 t -54.33 -71.8 0.07 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.405 -0.809 . . . . 0.0 110.165 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -61.91 -34.0 75.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.417 -0.802 . . . . 0.0 110.158 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.522 ' O ' ' CG ' ' A' ' 46' ' ' MET . 34.2 m -67.55 -58.29 4.96 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.222 -0.923 . . . . 0.0 109.932 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.501 ' HA ' HG13 ' A' ' 47' ' ' ILE . 42.0 t -52.38 -27.71 16.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.189 -0.944 . . . . 0.0 109.926 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 44.0 tttt -64.71 -49.05 72.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.156 -0.965 . . . . 0.0 109.936 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -64.06 -23.33 67.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.265 -0.897 . . . . 0.0 109.97 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.554 ' N ' ' HG3' ' A' ' 46' ' ' MET . 48.7 mm -57.35 -39.96 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.248 -0.908 . . . . 0.0 109.628 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.73 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.346 -0.846 . . . . 0.0 109.678 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.581 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 44.0 m-85 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.131 0.491 . . . . 0.0 110.148 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 15' ' ' MET . 12.7 tt0 -47.44 -39.78 16.44 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.103 -0.998 . . . . 0.0 109.681 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.02 -16.79 62.43 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.298 -0.877 . . . . 0.0 109.646 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.63 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 18.1 m-30 -86.43 14.12 7.21 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.387 -0.82 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 85.9 mtp -88.96 102.98 15.61 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.229 -0.919 . . . . 0.0 110.455 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 19' ' ' LYS . 38.9 ttmt -98.5 103.84 15.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.472 -0.768 . . . . 0.0 110.075 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.83 56.02 5.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 0.0 110.043 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.81 24.33 69.8 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 1.3 tmtp? -129.31 108.85 10.63 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.313 -1.11 . . . . 0.0 110.251 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.536 ' C ' HD23 ' A' ' 20' ' ' LEU . 1.2 tt -83.54 105.83 14.79 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.255 -0.903 . . . . 0.0 110.082 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.63 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 26.6 p90 -91.46 71.88 6.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.019 -1.051 . . . . 0.0 109.982 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.61 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -49.66 -47.39 78.9 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.396 -0.815 . . . . 0.0 111.457 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.4 Cg_exo -62.35 73.86 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.185 0 O-C-N 123.094 1.05 . . . . 0.0 110.837 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 22' ' ' CYS . 10.6 tt0 -101.18 -52.72 3.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.415 -0.803 . . . . 0.0 109.722 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 53.6 t0 -165.03 64.67 0.13 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.474 -0.767 . . . . 0.0 109.861 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.893 ' O ' HD11 ' A' ' 38' ' ' ILE . 92.2 mttt -55.16 -15.04 1.94 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.368 -0.833 . . . . 0.0 110.899 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 96.8 mttt -41.32 -26.75 0.06 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.219 -0.925 . . . . 0.0 110.396 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 14.9 m-85 -53.61 -18.46 2.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 0.0 110.202 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.706 ' CE1' HD11 ' A' ' 35' ' ' ILE . 15.4 t80 -41.89 -26.24 0.08 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.28 -0.888 . . . . 0.0 110.444 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' PHE . 25.4 pt20 -66.97 -5.8 14.24 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.293 -0.879 . . . . 0.0 110.726 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.7 m -132.33 153.26 50.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.061 -1.025 . . . . 0.0 110.402 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.7 tt -53.28 -45.66 68.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.129 -0.982 . . . . 0.0 110.027 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -57.38 -39.75 76.73 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.344 -0.847 . . . . 0.0 109.133 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.472 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -70.21 -48.04 41.11 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 108.179 -1.968 . . . . 0.0 108.179 178.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.706 HD11 ' CE1' ' A' ' 29' ' ' PHE . 5.1 mm -56.08 -33.88 37.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 121.358 -1.083 . . . . 0.0 109.299 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.455 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 4.7 mtp -72.52 -64.17 1.01 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.389 -0.82 . . . . 0.0 110.008 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.645 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -50.05 -49.37 51.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.053 -1.029 . . . . 0.0 109.073 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.893 HD11 ' O ' ' A' ' 26' ' ' LYS . 6.9 mt -53.65 -35.35 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.049 -1.032 . . . . 0.0 109.487 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 92.5 m-20 -72.51 -38.93 67.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.469 -0.769 . . . . 0.0 109.916 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 44' ' ' CYS . 24.4 tttt -82.79 -22.18 34.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.498 -0.751 . . . . 0.0 109.76 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.533 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 8.5 t -54.66 -72.44 0.06 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.382 -0.824 . . . . 0.0 109.941 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.06 -31.04 17.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 0.0 109.918 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 46' ' ' MET . 95.1 m -80.1 -22.53 42.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.502 -0.749 . . . . 0.0 109.817 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.514 ' HA ' HG12 ' A' ' 47' ' ' ILE . 13.4 t -81.62 -42.35 20.15 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.311 -0.868 . . . . 0.0 109.543 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -54.53 -40.23 68.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.407 -0.808 . . . . 0.0 109.634 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.529 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -65.01 -23.63 67.27 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.205 -0.934 . . . . 0.0 109.858 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.529 ' N ' ' HG3' ' A' ' 46' ' ' MET . 27.3 mm -61.35 -37.28 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.35 -0.844 . . . . 0.0 109.562 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.72 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.415 -0.803 . . . . 0.0 109.679 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.594 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 42.5 m-85 . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.204 0.525 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.514 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 52.0 tt0 -46.41 -43.95 16.81 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.27 -0.894 . . . . 0.0 109.336 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.87 -20.7 38.53 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.348 -0.845 . . . . 0.0 109.537 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.658 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 9.3 m-30 -90.55 18.05 6.75 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.289 -0.882 . . . . 0.0 110.168 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.535 ' CG ' ' O ' ' A' ' 15' ' ' MET . 8.1 ptt? -100.09 118.39 36.35 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.202 -0.936 . . . . 0.0 110.496 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 16.8 tppt? -96.56 81.25 3.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.172 -0.955 . . . . 0.0 109.956 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.465 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER 66.88 52.9 0.88 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 110.048 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.57 -16.56 44.64 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -93.17 104.07 16.29 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.17 -1.194 . . . . 0.0 110.398 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' C ' HD23 ' A' ' 20' ' ' LEU . 2.2 tt -81.95 113.67 20.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.295 -0.878 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.658 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 7.5 p90 -97.71 70.31 2.19 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.219 -0.926 . . . . 0.0 109.971 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.611 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -48.7 -49.01 68.32 Favored Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.437 -0.789 . . . . 0.0 111.266 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.43 82.69 0.1 Allowed 'Trans proline' 0 C--N 1.314 -1.268 0 O-C-N 123.311 1.163 . . . . 0.0 110.791 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.478 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 11.6 tt0 -125.63 -76.48 0.59 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.506 -0.746 . . . . 0.0 109.741 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.573 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 19.8 t0 -136.03 78.21 1.7 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.4 -0.813 . . . . 0.0 109.887 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 35.8 mttt -68.94 -2.58 10.11 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.27 -0.894 . . . . 0.0 110.76 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LYS . 71.7 mttt -41.33 -27.23 0.08 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.171 -0.956 . . . . 0.0 110.322 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 25.7 m-85 -48.49 -21.33 0.54 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.312 -0.868 . . . . 0.0 110.533 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.886 ' CD2' HD11 ' A' ' 35' ' ' ILE . 9.3 t80 -55.86 -16.47 4.62 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.216 -0.927 . . . . 0.0 110.392 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -61.89 -11.0 10.79 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.207 -0.933 . . . . 0.0 110.975 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' ILE . 8.4 p -147.32 165.7 29.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.01 -1.056 . . . . 0.0 110.744 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.414 ' HA ' ' HB ' ' A' ' 35' ' ' ILE . 3.4 tt -62.41 -54.93 33.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.436 -0.79 . . . . 0.0 110.172 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -54.7 -39.1 67.81 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.282 -0.886 . . . . 0.0 108.991 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.565 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -73.87 -35.45 54.37 Favored Glycine 0 N--CA 1.484 1.893 0 N-CA-C 108.184 -1.966 . . . . 0.0 108.184 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.886 HD11 ' CD2' ' A' ' 29' ' ' PHE . 1.1 mm -64.01 -36.58 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.567 -0.961 . . . . 0.0 109.582 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.8 mtp -49.83 -52.4 32.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.271 -0.893 . . . . 0.0 110.489 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.635 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.72 -49.52 14.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.194 -0.941 . . . . 0.0 109.731 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 29' ' ' PHE . 16.5 mt -50.1 -38.38 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.95 -1.094 . . . . 0.0 109.825 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -72.86 -26.11 61.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.384 -0.822 . . . . 0.0 109.66 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 46.7 mttt -96.91 -12.22 23.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.492 -0.755 . . . . 0.0 109.763 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.546 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 8.7 t -60.61 -73.48 0.09 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.28 -0.888 . . . . 0.0 109.881 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -55.67 -32.06 62.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.473 -0.767 . . . . 0.0 110.026 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.54 ' O ' ' CG ' ' A' ' 46' ' ' MET . 18.7 m -72.82 -56.64 4.93 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 0.0 109.721 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.484 ' SG ' ' CD1' ' A' ' 11' ' ' PHE . 50.4 m -49.51 -23.89 1.81 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.104 -0.998 . . . . 0.0 109.645 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 38.5 tttt -69.59 -51.52 34.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.461 -0.774 . . . . 0.0 110.08 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -59.19 -26.08 64.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.097 -1.002 . . . . 0.0 109.712 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.537 ' N ' ' HG3' ' A' ' 46' ' ' MET . 24.0 mm -57.75 -38.86 67.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.362 -0.836 . . . . 0.0 109.459 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.693 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.6 mm? . . . . . 0 N--CA 1.489 1.525 0 O-C-N 121.339 -0.85 . . . . 0.0 109.519 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.554 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 44.3 m-85 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.183 0.516 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.478 ' O ' ' HE2' ' A' ' 15' ' ' MET . 41.4 tt0 -46.28 -25.67 0.67 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.174 -0.954 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.94 -20.39 45.76 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.898 . . . . 0.0 110.248 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.593 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 6.8 m-30 -88.01 18.74 4.01 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.194 -0.941 . . . . 0.0 110.079 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.478 ' HE2' ' O ' ' A' ' 12' ' ' GLN . 41.3 mtm -82.07 144.31 30.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.4 -0.812 . . . . 0.0 110.36 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 19' ' ' LYS . 4.0 tttt -127.52 90.99 3.21 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.394 -0.816 . . . . 0.0 109.722 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 79.5 m-20 56.04 49.87 14.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.351 -0.843 . . . . 0.0 109.727 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.77 10.43 85.14 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 16' ' ' LYS . 7.7 tmtt? -121.86 106.84 11.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.257 -1.143 . . . . 0.0 110.35 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.807 HD23 ' HA ' ' A' ' 45' ' ' LYS . 11.9 tp -86.61 117.03 25.11 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.345 -0.847 . . . . 0.0 110.032 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.593 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 8.7 p90 -95.57 85.23 4.13 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.072 -1.018 . . . . 0.0 110.067 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.615 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.7 OUTLIER -52.16 -46.37 93.66 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.382 -0.824 . . . . 0.0 111.368 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.05 83.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 122.933 0.965 . . . . 0.0 110.875 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.501 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 15.8 tt0 -112.38 -79.61 0.58 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.337 -0.852 . . . . 0.0 110.038 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.584 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 50.6 t0 -144.63 66.21 1.27 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.29 -0.881 . . . . 0.0 109.963 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.716 ' O ' HD11 ' A' ' 38' ' ' ILE . 35.9 mtpt -56.53 -14.17 2.92 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.258 -0.901 . . . . 0.0 110.904 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 96.8 mttt -41.79 -26.45 0.08 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.122 -0.986 . . . . 0.0 110.429 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 18.0 m-85 -55.55 -16.69 4.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.212 -0.93 . . . . 0.0 110.321 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.909 ' CE1' HD11 ' A' ' 35' ' ' ILE . 6.1 t80 -41.89 -26.49 0.09 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.151 -0.968 . . . . 0.0 110.365 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' PHE . 23.1 pt20 -66.63 -5.41 11.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.35 -0.844 . . . . 0.0 110.716 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.9 p -132.43 153.95 50.33 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.057 -1.027 . . . . 0.0 110.042 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tt -52.1 -50.44 61.63 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.16 -0.962 . . . . 0.0 110.096 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -53.86 -37.29 63.52 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.365 -0.835 . . . . 0.0 109.11 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.465 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -70.8 -49.97 26.64 Favored Glycine 0 N--CA 1.484 1.875 0 N-CA-C 108.253 -1.939 . . . . 0.0 108.253 179.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.909 HD11 ' CE1' ' A' ' 29' ' ' PHE . 1.6 mm -55.24 -32.98 29.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.313 -1.11 . . . . 0.0 109.233 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.468 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 30.6 mmm -78.21 -64.16 1.23 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.867 . . . . 0.0 110.079 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.98 -49.57 15.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.093 -1.004 . . . . 0.0 109.157 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.716 HD11 ' O ' ' A' ' 26' ' ' LYS . 6.6 mt -51.28 -38.66 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.082 -1.011 . . . . 0.0 109.533 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 72.7 m-20 -70.26 -34.52 72.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.364 -0.835 . . . . 0.0 109.856 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.523 ' HA ' ' HB ' ' A' ' 43' ' ' THR . 31.9 mtpt -82.07 -20.01 39.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.487 -0.758 . . . . 0.0 110.141 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.534 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 2.7 t -48.53 -64.75 0.71 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.241 -0.912 . . . . 0.0 110.022 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.46 -32.37 73.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 0.0 110.098 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.529 ' O ' ' CG ' ' A' ' 46' ' ' MET . 29.3 m -65.9 -58.4 5.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.263 -0.898 . . . . 0.0 110.163 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.471 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 74.0 m -55.6 -34.65 65.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.128 -0.982 . . . . 0.0 110.147 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.807 ' HA ' HD23 ' A' ' 20' ' ' LEU . 30.4 tttt -58.51 -51.19 70.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.294 -0.879 . . . . 0.0 110.587 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.546 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -59.16 -23.7 62.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.149 -0.969 . . . . 0.0 110.365 -179.704 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.546 ' N ' ' HG3' ' A' ' 46' ' ' MET . 24.6 mm -60.03 -36.19 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.259 -0.901 . . . . 0.0 109.827 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.746 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.343 -0.848 . . . . 0.0 109.971 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.609 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 83.9 m-85 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.167 0.508 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' A' ' 15' ' ' MET . 60.3 tt0 -45.51 -47.25 14.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.154 -0.966 . . . . 0.0 109.648 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.6 -18.83 22.04 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.307 -0.871 . . . . 0.0 109.772 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.618 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 5.7 m-30 -92.14 13.54 18.68 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.293 -0.879 . . . . 0.0 110.504 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.543 ' CG ' ' O ' ' A' ' 15' ' ' MET . 19.8 ptm -97.65 117.51 32.09 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.037 -1.039 . . . . 0.0 110.72 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 8.8 tttt -97.45 87.88 4.24 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.253 -0.904 . . . . 0.0 109.833 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 77.2 m-20 59.87 51.59 5.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.527 -0.733 . . . . 0.0 110.714 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.4 -15.84 60.35 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.501 ' C ' ' CD ' ' A' ' 19' ' ' LYS . 2.2 tmtm? -98.02 113.72 25.66 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.957 -1.319 . . . . 0.0 110.515 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.761 HD23 ' N ' ' A' ' 21' ' ' PHE . 2.2 tt -96.04 124.34 40.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.111 -0.993 . . . . 0.0 110.156 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.761 ' N ' HD23 ' A' ' 20' ' ' LEU . 3.8 p90 -103.48 73.58 1.21 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.148 -0.97 . . . . 0.0 109.959 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.607 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -47.28 -49.72 51.45 Favored Pre-proline 0 N--CA 1.493 1.703 0 O-C-N 121.51 -0.744 . . . . 0.0 111.46 -179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.4 Cg_exo -61.56 82.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.272 1.143 . . . . 0.0 110.822 -179.225 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.494 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 11.4 tt0 -126.02 -78.35 0.59 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.465 -0.772 . . . . 0.0 109.77 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.573 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 3.5 t70 -133.32 77.81 1.75 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.456 -0.777 . . . . 0.0 109.971 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 39.3 mttt -68.84 -2.21 9.0 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.357 -0.839 . . . . 0.0 110.851 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' LYS . 70.8 mmtt -41.79 -27.23 0.1 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.149 -0.969 . . . . 0.0 110.291 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 25.2 m-85 -50.15 -21.27 1.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.202 -0.936 . . . . 0.0 110.138 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.833 ' HB2' HD11 ' A' ' 38' ' ' ILE . 6.4 t80 -56.49 -16.46 5.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.277 -0.889 . . . . 0.0 110.11 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -66.15 -6.9 14.9 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.253 -0.904 . . . . 0.0 110.865 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.481 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 11.0 p -147.49 165.63 29.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.035 -1.04 . . . . 0.0 110.682 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' HA ' ' HB ' ' A' ' 35' ' ' ILE . 3.3 tt -66.31 -55.15 17.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.349 -0.844 . . . . 0.0 110.068 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -56.03 -41.94 75.74 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.34 -0.85 . . . . 0.0 109.053 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.537 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.87 -32.75 60.71 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 108.255 -1.938 . . . . 0.0 108.255 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.621 HD11 ' CG ' ' A' ' 29' ' ' PHE . 1.4 mm -66.25 -36.97 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.537 -0.979 . . . . 0.0 109.52 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' PHE . 64.1 mmm -48.15 -50.99 26.85 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.308 -0.87 . . . . 0.0 110.189 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.22 -48.17 12.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.113 -0.992 . . . . 0.0 109.426 -179.826 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.833 HD11 ' HB2' ' A' ' 29' ' ' PHE . 18.3 mt -52.04 -42.92 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.934 -1.104 . . . . 0.0 109.714 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -66.49 -27.49 67.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.463 -0.773 . . . . 0.0 109.975 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 44' ' ' CYS . 40.9 ttmt -96.28 -21.32 17.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.315 -0.866 . . . . 0.0 110.215 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 37' ' ' PHE . 6.1 t -53.86 -75.61 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.174 -0.954 . . . . 0.0 110.086 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.523 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -57.63 -30.52 65.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.403 -0.811 . . . . 0.0 110.305 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.444 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 95.3 m -79.04 -17.64 54.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.218 -0.927 . . . . 0.0 110.133 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 40' ' ' LYS . 10.6 t -92.37 -52.76 4.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.261 -0.899 . . . . 0.0 110.076 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.597 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -51.92 -24.64 6.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.144 -0.972 . . . . 0.0 109.761 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.542 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -78.32 -25.02 46.38 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.401 -0.812 . . . . 0.0 109.656 179.734 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.542 ' N ' ' HG3' ' A' ' 46' ' ' MET . 23.2 mm -63.85 -34.2 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.305 -0.872 . . . . 0.0 109.189 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.741 HD11 HD12 ' A' ' 20' ' ' LEU . 1.3 mt . . . . . 0 N--CA 1.488 1.459 0 O-C-N 121.438 -0.789 . . . . 0.0 109.448 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.595 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 45.1 m-85 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.123 0.487 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 15' ' ' MET . 49.1 tt0 -47.73 -38.21 14.88 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.036 -1.04 . . . . 0.0 109.345 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.28 -19.82 64.92 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.34 -0.85 . . . . 0.0 109.589 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.644 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 11.2 m-30 -89.22 15.38 9.02 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.286 -0.884 . . . . 0.0 110.364 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.56 ' CG ' ' O ' ' A' ' 15' ' ' MET . 13.7 ptt? -98.99 112.1 24.31 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.072 -1.017 . . . . 0.0 110.579 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 8.8 tttt -91.85 90.43 7.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.165 -0.959 . . . . 0.0 109.866 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 78.3 m-20 57.98 52.67 7.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.328 -0.857 . . . . 0.0 110.349 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.51 -13.45 58.15 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.438 ' HD3' ' C ' ' A' ' 19' ' ' LYS . 3.4 tmtm? -95.63 106.54 18.65 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.095 -1.238 . . . . 0.0 110.388 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.3 tt -85.72 115.49 23.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.249 -0.907 . . . . 0.0 110.194 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.644 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 24.5 p90 -101.73 64.16 0.97 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.072 -1.017 . . . . 0.0 109.885 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.6 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -50.07 -47.11 82.09 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.336 -0.852 . . . . 0.0 111.401 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -65.19 84.27 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.363 0 O-C-N 123.186 1.098 . . . . 0.0 111.067 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.528 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 1.0 OUTLIER -126.82 -26.32 3.22 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.208 -0.932 . . . . 0.0 110.266 179.575 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.574 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 66.7 t0 -179.97 55.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.876 . . . . 0.0 109.639 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' O ' HD11 ' A' ' 38' ' ' ILE . 41.6 mttt -56.39 -13.51 2.29 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.333 -0.854 . . . . 0.0 110.926 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 99.6 mttt -42.15 -26.22 0.09 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.087 -1.008 . . . . 0.0 110.223 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 13.3 m-85 -48.53 -21.8 0.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.255 -0.903 . . . . 0.0 110.271 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.748 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 7.5 t80 -40.51 -26.31 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.297 -0.877 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' PHE . 18.4 pt20 -67.78 -4.55 12.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.096 -1.003 . . . . 0.0 110.694 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.4 t -133.09 148.47 52.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.008 -1.058 . . . . 0.0 110.342 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.9 tp -46.34 -52.13 13.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.268 -0.895 . . . . 0.0 110.105 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -52.19 -36.81 53.0 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.324 -0.86 . . . . 0.0 108.777 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.475 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -71.92 -51.2 15.54 Favored Glycine 0 N--CA 1.484 1.892 0 N-CA-C 108.078 -2.009 . . . . 0.0 108.078 178.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.748 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 1.6 mm -54.86 -32.15 25.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.243 -1.151 . . . . 0.0 108.915 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.457 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 19.3 mmm -78.98 -65.68 0.96 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.346 -0.846 . . . . 0.0 110.266 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.62 -47.42 14.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.074 -1.016 . . . . 0.0 109.18 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.634 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 6.2 mt -52.81 -39.74 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.948 -1.095 . . . . 0.0 109.417 178.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 89.6 m-20 -65.4 -41.02 94.08 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.406 -0.809 . . . . 0.0 109.624 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 52.8 mttt -83.86 -13.79 52.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.527 -0.733 . . . . 0.0 109.495 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.545 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 44.4 t -58.51 -67.42 0.36 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.369 -0.832 . . . . 0.0 110.171 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.84 -30.95 71.99 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.414 -0.804 . . . . 0.0 110.339 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.531 ' O ' ' CG ' ' A' ' 46' ' ' MET . 99.3 m -74.28 -46.16 43.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.243 -0.911 . . . . 0.0 110.033 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 40' ' ' LYS . 59.2 m -62.43 -24.07 67.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.21 -0.931 . . . . 0.0 109.776 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.496 ' HA ' HD13 ' A' ' 20' ' ' LEU . 23.2 tttt -69.13 -44.27 72.7 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -0.869 . . . . 0.0 110.14 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.531 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -63.12 -23.1 67.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.915 . . . . 0.0 110.095 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.531 ' N ' ' HG3' ' A' ' 46' ' ' MET . 19.3 mm -59.18 -41.48 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.341 -0.85 . . . . 0.0 109.788 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.692 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.344 -0.848 . . . . 0.0 109.883 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.682 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 66.1 m-85 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.085 0.469 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.479 ' O ' ' CG ' ' A' ' 15' ' ' MET . 40.3 tt0 -46.33 -47.74 18.44 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.08 -1.013 . . . . 0.0 109.302 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.5 -18.22 17.64 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.298 -0.876 . . . . 0.0 109.661 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.65 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 9.2 m-30 -89.82 16.37 8.19 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.278 -0.889 . . . . 0.0 110.397 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.537 ' CG ' ' O ' ' A' ' 15' ' ' MET . 7.0 ptt? -101.27 115.06 29.63 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.197 -0.94 . . . . 0.0 110.387 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' LYS . 81.3 tttt -93.8 80.69 4.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 110.149 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER 64.76 57.33 1.06 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.271 -0.893 . . . . 0.0 110.414 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.73 -11.0 60.63 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.696 -1.361 . . . . 0.0 109.696 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' LYS . 7.4 tmtm? -96.5 113.32 24.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.237 -1.155 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.592 HD12 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -92.54 104.23 16.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.173 -0.955 . . . . 0.0 110.223 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.65 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 12.8 p90 -94.42 64.35 3.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.074 -1.016 . . . . 0.0 109.931 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.608 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -50.34 -47.25 83.46 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.416 -0.802 . . . . 0.0 111.538 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.608 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -61.58 82.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.315 -1.234 0 O-C-N 123.089 1.047 . . . . 0.0 110.705 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.517 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 20.3 tt0 -120.77 -86.13 0.65 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.43 -0.794 . . . . 0.0 109.845 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.586 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 9.3 t0 -127.6 76.34 1.67 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.338 -0.851 . . . . 0.0 109.952 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.607 ' O ' HD11 ' A' ' 38' ' ' ILE . 53.1 mttt -65.39 -5.21 6.95 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.182 -0.949 . . . . 0.0 110.893 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LYS . 62.7 mmtt -41.94 -26.51 0.09 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.114 -0.991 . . . . 0.0 110.4 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 42.6 m-85 -52.05 -19.64 2.0 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.118 -0.989 . . . . 0.0 110.027 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.593 ' CE1' HD11 ' A' ' 35' ' ' ILE . 7.7 t80 -49.39 -20.64 0.72 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.319 -0.863 . . . . 0.0 110.494 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -69.88 -2.31 11.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.17 -0.956 . . . . 0.0 110.717 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.0 m -136.31 158.17 45.06 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.051 -1.03 . . . . 0.0 110.377 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.39 -47.99 83.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.908 . . . . 0.0 110.005 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -56.68 -39.93 74.67 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.405 -0.809 . . . . 0.0 109.181 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.45 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.45 -46.23 56.77 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 108.253 -1.939 . . . . 0.0 108.253 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.593 HD11 ' CE1' ' A' ' 29' ' ' PHE . 3.6 mm -55.65 -36.72 43.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.354 -1.086 . . . . 0.0 109.113 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.463 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 7.0 mtt -70.18 -65.34 0.74 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.292 -0.88 . . . . 0.0 109.871 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.682 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -46.77 -52.03 14.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.181 -0.949 . . . . 0.0 108.841 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.607 HD11 ' O ' ' A' ' 26' ' ' LYS . 11.4 mt -48.78 -38.75 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.168 -0.958 . . . . 0.0 109.333 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 88.3 m-20 -69.7 -34.55 74.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.351 -0.843 . . . . 0.0 109.123 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -81.08 -15.07 57.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.591 -0.693 . . . . 0.0 109.47 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 11.3 t -63.05 -69.73 0.25 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.449 -0.782 . . . . 0.0 109.764 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.2 -30.45 17.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.565 -0.709 . . . . 0.0 110.036 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.545 ' O ' ' CG ' ' A' ' 46' ' ' MET . 87.1 m -78.62 -53.79 6.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.266 -0.896 . . . . 0.0 109.619 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.471 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 42.0 t -46.1 -33.9 3.82 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.244 -0.91 . . . . 0.0 109.524 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -60.74 -47.58 85.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.35 -0.844 . . . . 0.0 110.222 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.2 OUTLIER -61.24 -21.64 64.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.171 -0.955 . . . . 0.0 109.775 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.527 ' N ' ' HG3' ' A' ' 46' ' ' MET . 27.5 mm -69.4 -32.93 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.449 -0.782 . . . . 0.0 109.492 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.592 HD23 HD12 ' A' ' 20' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.416 -0.802 . . . . 0.0 109.963 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 11.5 m-85 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.18 0.514 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 15' ' ' MET . 50.6 tt0 -44.62 -43.61 8.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.096 -1.003 . . . . 0.0 109.848 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.31 -24.39 28.46 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.303 -0.873 . . . . 0.0 109.666 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.641 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 6.0 m-85 -91.26 17.0 8.86 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.394 -0.816 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.544 ' HA ' ' O ' ' A' ' 19' ' ' LYS . 20.8 ptm -94.79 131.05 41.06 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.062 -1.024 . . . . 0.0 110.372 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' LYS . 55.1 tttp -105.31 77.64 1.31 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.208 -0.932 . . . . 0.0 110.28 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 10.9 t-20 68.24 56.16 0.51 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.246 -0.909 . . . . 0.0 110.543 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.36 -28.65 7.94 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 15' ' ' MET . 1.3 tmtp? -87.02 151.38 23.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -1.149 . . . . 0.0 109.62 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.514 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 20.3 tp -124.83 118.64 26.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.234 -0.916 . . . . 0.0 110.299 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.641 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 7.0 p90 -97.58 67.64 2.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.189 -0.944 . . . . 0.0 109.846 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.62 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -47.93 -48.89 61.23 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.438 -0.789 . . . . 0.0 111.399 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.5 Cg_exo -61.12 82.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.314 -1.244 0 O-C-N 123.254 1.134 . . . . 0.0 110.738 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.534 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 10.6 tt0 -113.45 -78.31 0.58 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.476 -0.765 . . . . 0.0 109.755 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 36.7 m-20 -135.14 61.63 1.66 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.421 -0.799 . . . . 0.0 109.683 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.704 ' O ' HD11 ' A' ' 38' ' ' ILE . 62.0 mttt -53.5 -16.32 1.44 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.0 110.879 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' LYS . 80.4 mttt -41.69 -26.81 0.08 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.051 -1.031 . . . . 0.0 110.157 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 24.9 m-85 -51.0 -20.23 1.29 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.263 -0.898 . . . . 0.0 110.206 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CE1' HD11 ' A' ' 35' ' ' ILE . 13.7 t80 -44.22 -25.21 0.21 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.128 -0.982 . . . . 0.0 110.248 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' PHE . 15.8 mt-30 -69.1 -3.33 12.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.261 -0.899 . . . . 0.0 110.615 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.7 t -134.71 157.22 47.25 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.085 -1.009 . . . . 0.0 110.281 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.641 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.8 tm? -56.53 -47.96 78.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.28 -0.888 . . . . 0.0 109.956 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -54.43 -39.28 67.2 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.369 -0.832 . . . . 0.0 108.888 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.474 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.73 -51.18 26.24 Favored Glycine 0 N--CA 1.484 1.873 0 N-CA-C 108.131 -1.988 . . . . 0.0 108.131 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.601 HD11 ' CE1' ' A' ' 29' ' ' PHE . 6.2 mm -53.49 -32.21 20.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 121.438 -1.037 . . . . 0.0 109.11 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.433 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -75.35 -66.09 0.81 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.297 -0.877 . . . . 0.0 109.98 179.496 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.637 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -50.08 -47.81 53.45 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.285 -0.884 . . . . 0.0 109.117 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 26' ' ' LYS . 7.5 mt -53.54 -36.48 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.908 -1.12 . . . . 0.0 108.966 178.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 36' ' ' MET . 2.6 m120 -74.65 -28.96 61.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.529 -0.732 . . . . 0.0 109.532 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 44' ' ' CYS . 17.0 mttt -88.01 -25.78 22.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.355 -0.841 . . . . 0.0 109.784 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.55 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 2.5 t -42.61 -73.46 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.21 -0.931 . . . . 0.0 110.18 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.06 75.12 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.662 -0.649 . . . . 0.0 110.779 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.52 ' HB ' ' HA ' ' A' ' 40' ' ' LYS . 78.2 m -71.47 -22.5 61.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.245 -0.909 . . . . 0.0 110.296 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.549 ' N ' ' O ' ' A' ' 40' ' ' LYS . 5.2 t -89.04 -49.99 6.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.27 -0.894 . . . . 0.0 109.542 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.713 ' HA ' HD12 ' A' ' 48' ' ' LEU . 10.1 tttt -46.91 -43.48 18.97 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.36 -0.837 . . . . 0.0 109.167 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.555 ' SD ' HD13 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -61.41 -29.07 69.7 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.357 -0.839 . . . . 0.0 109.836 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.555 HD13 ' SD ' ' A' ' 46' ' ' MET . 26.6 mm -61.21 -37.2 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.3 -0.875 . . . . 0.0 109.583 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 45' ' ' LYS . 1.6 mt . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.468 -0.77 . . . . 0.0 109.91 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.604 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 57.9 m-85 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.12 0.486 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.465 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 17.2 tt0 -46.24 -43.72 15.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.142 -0.974 . . . . 0.0 109.489 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.26 -18.47 61.31 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.305 -0.872 . . . . 0.0 109.77 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.643 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 14.2 m-30 -89.32 16.52 7.3 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.153 -0.967 . . . . 0.0 110.33 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 15' ' ' MET . 16.5 ptm -103.02 116.48 32.6 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.153 -0.967 . . . . 0.0 110.41 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 19' ' ' LYS . 11.6 tttt -93.38 87.47 5.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.028 -1.045 . . . . 0.0 110.03 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 77.6 m-20 58.3 52.97 6.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.338 -0.851 . . . . 0.0 110.383 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.67 -14.76 62.08 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . 6.5 tmtm? -93.61 105.15 17.22 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.082 -1.246 . . . . 0.0 110.436 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' A' ' 45' ' ' LYS . 20.5 tp -86.36 111.0 20.07 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.186 -0.946 . . . . 0.0 110.097 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.643 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 7.9 p90 -99.07 69.44 1.74 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.062 -1.024 . . . . 0.0 110.153 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.623 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -49.55 -48.07 76.73 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.483 -0.761 . . . . 0.0 111.291 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.01 73.79 0.1 OUTLIER 'Trans proline' 0 C--N 1.315 -1.225 0 O-C-N 123.228 1.12 . . . . 0.0 110.883 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' CYS . 6.5 tt0 -109.55 -42.87 4.2 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.428 -0.795 . . . . 0.0 109.403 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.575 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 53.2 t0 -171.81 61.0 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.635 -0.665 . . . . 0.0 109.456 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HA ' HD11 ' A' ' 38' ' ' ILE . 83.9 mttt -55.22 -15.17 2.12 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.421 -0.8 . . . . 0.0 110.871 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 94.6 mttt -41.16 -27.58 0.07 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.309 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 14.7 m-85 -50.32 -26.86 5.3 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.247 -0.908 . . . . 0.0 109.923 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.716 ' CE1' HD13 ' A' ' 35' ' ' ILE . 50.9 t80 -42.98 -25.46 0.1 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.351 -0.843 . . . . 0.0 110.601 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 28' ' ' PHE . 47.7 mt-30 -65.67 -7.2 14.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.322 -0.861 . . . . 0.0 110.628 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.2 m -128.77 166.43 19.03 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.117 -0.989 . . . . 0.0 110.162 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.68 -54.64 42.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.253 -0.904 . . . . 0.0 110.173 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -52.85 -36.6 59.08 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.299 -0.876 . . . . 0.0 108.885 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.498 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -72.76 -45.72 33.49 Favored Glycine 0 N--CA 1.485 1.902 0 N-CA-C 108.135 -1.986 . . . . 0.0 108.135 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.716 HD13 ' CE1' ' A' ' 29' ' ' PHE . 2.0 mm -55.21 -34.54 33.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 121.222 -1.163 . . . . 0.0 108.981 179.023 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.453 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 5.6 mtp -75.84 -64.75 1.02 Allowed 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.176 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.639 ' CE1' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -46.45 -48.87 18.87 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.262 -0.899 . . . . 0.0 109.107 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.639 ' CD1' ' CE1' ' A' ' 37' ' ' PHE . 24.5 mm -49.21 -41.22 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.896 -1.128 . . . . 0.0 109.198 178.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 96.5 m-20 -68.71 -34.0 74.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.442 -0.786 . . . . 0.0 110.002 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 38.3 mttt -85.01 -25.69 27.54 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.329 -0.857 . . . . 0.0 110.017 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.537 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 6.7 t -47.04 -72.25 0.06 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -0.915 . . . . 0.0 109.963 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -55.92 -33.59 64.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.467 -0.771 . . . . 0.0 110.338 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.532 ' O ' ' CG ' ' A' ' 46' ' ' MET . 28.9 m -67.68 -58.2 5.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 110.112 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 65.8 m -48.78 -33.46 10.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.123 -0.986 . . . . 0.0 109.92 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.446 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 19.4 tttp -60.55 -47.47 86.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.306 -0.871 . . . . 0.0 110.109 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -63.78 -23.39 67.34 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.239 -0.913 . . . . 0.0 110.029 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.554 ' N ' ' HG3' ' A' ' 46' ' ' MET . 26.6 mm -63.35 -41.89 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.386 -0.821 . . . . 0.0 109.6 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.66 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.394 -0.816 . . . . 0.0 109.536 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.593 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 40.8 m-85 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.094 0.473 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.474 ' HG3' ' SD ' ' A' ' 15' ' ' MET . 56.6 tt0 -46.49 -42.31 15.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.161 -0.962 . . . . 0.0 110.044 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.54 -14.39 12.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.353 -0.842 . . . . 0.0 110.053 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.593 ' CD2' ' HA ' ' A' ' 11' ' ' PHE . 20.9 m-85 -96.44 19.9 11.41 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.253 -0.904 . . . . 0.0 110.546 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.474 ' SD ' ' HG3' ' A' ' 12' ' ' GLN . 94.3 mtp -94.39 96.07 9.28 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.193 -0.942 . . . . 0.0 110.15 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 74.0 tttt -79.93 97.46 6.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.426 -0.796 . . . . 0.0 110.223 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 15.1 t-20 61.05 59.0 2.12 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.251 -0.906 . . . . 0.0 110.139 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.1 18.91 63.15 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.506 -1.437 . . . . 0.0 109.506 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.2 tmtp? -126.92 114.08 17.39 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.215 -1.168 . . . . 0.0 110.049 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 21' ' ' PHE . 2.1 tt -83.63 116.23 22.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.244 -0.91 . . . . 0.0 110.469 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.608 ' N ' HD23 ' A' ' 20' ' ' LEU . 10.0 p90 -101.3 74.74 1.58 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.218 -0.926 . . . . 0.0 109.72 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.626 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 5.5 t -56.64 -42.76 97.93 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.351 -0.843 . . . . 0.0 111.684 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 2.8 Cg_endo -65.46 75.75 0.27 Allowed 'Trans proline' 0 C--N 1.316 -1.142 0 O-C-N 122.711 0.848 . . . . 0.0 111.069 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 22' ' ' CYS . 4.8 pt20 -119.98 -113.29 0.33 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.966 -1.084 . . . . 0.0 109.489 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.587 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 8.3 t0 -97.8 68.89 2.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.892 -1.13 . . . . 0.0 109.843 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.587 ' O ' HD11 ' A' ' 38' ' ' ILE . 86.5 mttt -64.6 -5.68 6.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -0.959 . . . . 0.0 110.953 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.456 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 91.4 mttt -41.64 -26.82 0.08 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.138 -0.976 . . . . 0.0 110.316 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 57.1 m-85 -44.78 -24.89 0.24 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.258 -0.901 . . . . 0.0 110.124 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.667 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 9.1 t80 -43.53 -24.0 0.09 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.324 -0.86 . . . . 0.0 110.831 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 28' ' ' PHE . 28.5 pt20 -69.16 -2.67 10.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.114 -0.992 . . . . 0.0 110.802 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.4 t -138.23 152.55 48.71 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.983 -1.073 . . . . 0.0 110.447 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tt -51.34 -47.52 62.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.209 -0.932 . . . . 0.0 110.011 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -54.85 -38.48 67.51 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.282 -0.886 . . . . 0.0 108.99 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.471 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -68.81 -53.42 19.7 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 108.215 -1.954 . . . . 0.0 108.215 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.667 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 3.3 mm -52.33 -30.98 14.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.242 -1.152 . . . . 0.0 108.973 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -75.26 -67.23 0.68 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.45 -0.781 . . . . 0.0 110.123 179.463 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -51.11 -45.69 61.64 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.262 -0.899 . . . . 0.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.634 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 6.5 mt -52.43 -34.52 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.828 -1.17 . . . . 0.0 109.191 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 36' ' ' MET . 3.8 m-20 -77.56 -35.69 52.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.437 -0.789 . . . . 0.0 109.59 179.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -76.5 -19.6 57.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.436 -0.79 . . . . 0.0 109.67 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.494 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -54.33 -66.03 0.47 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.372 -0.83 . . . . 0.0 109.94 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.14 -33.09 67.04 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.372 -0.83 . . . . 0.0 109.807 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.531 ' O ' ' CG ' ' A' ' 46' ' ' MET . 97.5 m -68.3 -55.57 11.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.388 -0.82 . . . . 0.0 110.226 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.405 ' HA ' HG12 ' A' ' 47' ' ' ILE . 85.3 m -62.22 -27.35 68.92 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.146 -0.971 . . . . 0.0 110.332 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -64.2 -50.23 68.89 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.233 -0.917 . . . . 0.0 110.373 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.54 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -59.35 -25.75 64.48 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.139 -0.976 . . . . 0.0 110.036 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.54 ' N ' ' HG3' ' A' ' 46' ' ' MET . 20.6 mm -57.76 -41.64 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.288 -0.883 . . . . 0.0 109.564 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.666 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.1 mm? . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.344 -0.847 . . . . 0.0 109.516 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.592 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 27.1 m-85 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.129 0.49 . . . . 0.0 110.462 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.448 ' O ' ' HG2' ' A' ' 15' ' ' MET . 57.8 tt0 -44.18 -47.53 9.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.133 -0.98 . . . . 0.0 110.2 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.75 -17.48 15.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.277 -0.889 . . . . 0.0 110.077 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.629 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 16.9 m-30 -90.25 13.37 15.45 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.363 -0.836 . . . . 0.0 110.511 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.541 ' HA ' ' O ' ' A' ' 19' ' ' LYS . 17.1 ptm -101.48 119.19 38.39 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.912 -1.117 . . . . 0.0 110.708 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 19' ' ' LYS . 48.6 tptt -97.33 84.96 3.55 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.209 -0.932 . . . . 0.0 109.87 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 84.3 m-20 58.85 54.73 4.97 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.459 -0.775 . . . . 0.0 110.673 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.24 -15.15 60.49 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' A' ' 15' ' ' MET . 3.9 tmtm? -94.72 128.52 41.46 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.096 -1.237 . . . . 0.0 110.183 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.526 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 28.0 tp -108.85 116.16 31.46 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.117 -0.99 . . . . 0.0 110.277 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.629 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 29.6 p90 -103.49 69.56 1.0 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.1 -1.0 . . . . 0.0 110.175 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.616 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -55.72 -47.63 98.29 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.429 -0.795 . . . . 0.0 111.573 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.41 83.98 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.22 0 O-C-N 123.224 1.118 . . . . 0.0 111.084 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.505 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 12.6 tt0 -125.97 -78.72 0.59 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.424 -0.797 . . . . 0.0 109.774 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.583 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 13.7 t0 -135.4 76.78 1.64 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.428 -0.795 . . . . 0.0 109.808 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.474 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 51.1 mttt -69.65 -2.52 11.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.277 -0.889 . . . . 0.0 110.799 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' LYS . 58.9 mmtt -42.15 -27.81 0.15 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.186 -0.946 . . . . 0.0 110.132 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.583 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 25.4 m-85 -46.74 -23.52 0.43 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.258 -0.902 . . . . 0.0 110.168 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 13.0 t80 -49.76 -19.49 0.65 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.11 -0.993 . . . . 0.0 110.588 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -63.49 -8.88 10.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.145 -0.972 . . . . 0.0 110.581 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.5 m -141.94 163.21 33.5 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.033 -1.042 . . . . 0.0 110.705 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.55 -55.32 34.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.345 -0.847 . . . . 0.0 110.355 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -52.25 -38.48 58.26 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.318 -0.864 . . . . 0.0 108.794 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.56 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.15 -42.65 50.26 Favored Glycine 0 N--CA 1.483 1.8 0 N-CA-C 108.204 -1.959 . . . . 0.0 108.204 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.514 ' CD1' ' CD2' ' A' ' 29' ' ' PHE . 3.8 mm -56.98 -33.73 42.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.425 -1.044 . . . . 0.0 109.482 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' PHE . 51.6 mmm -60.02 -60.08 4.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.161 -0.962 . . . . 0.0 110.243 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.34 -52.72 5.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.222 -0.924 . . . . 0.0 109.375 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.643 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 8.0 mt -52.33 -37.93 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.886 -1.134 . . . . 0.0 109.769 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 36' ' ' MET . 8.3 m120 -71.86 -26.53 62.4 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.37 -0.831 . . . . 0.0 109.924 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 44' ' ' CYS . 11.7 mttt -97.24 -18.23 19.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 109.778 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.545 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 10.3 t -50.62 -74.57 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.379 -0.826 . . . . 0.0 110.191 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.57 -28.78 69.87 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.465 -0.772 . . . . 0.0 110.269 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' CG ' ' A' ' 46' ' ' MET . 97.4 m -76.56 -17.79 59.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.935 . . . . 0.0 109.928 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.54 ' HA ' HG12 ' A' ' 47' ' ' ILE . 35.9 t -87.67 -45.5 10.33 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.407 -0.808 . . . . 0.0 109.653 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.508 ' HG3' ' N ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -56.59 -25.47 52.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.324 -0.86 . . . . 0.0 109.575 179.548 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.526 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.8 OUTLIER -79.11 -23.59 43.97 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.402 -0.811 . . . . 0.0 109.383 179.63 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.54 HG12 ' HA ' ' A' ' 44' ' ' CYS . 29.0 mm -63.5 -45.44 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.395 -0.816 . . . . 0.0 109.323 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 45' ' ' LYS . 1.1 mt . . . . . 0 N--CA 1.488 1.475 0 O-C-N 121.463 -0.773 . . . . 0.0 109.739 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.699 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 65.9 m-85 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.128 0.49 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 15' ' ' MET . 24.9 tt0 -44.98 -36.37 3.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.107 -0.996 . . . . 0.0 110.012 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.71 -21.89 66.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.192 -0.943 . . . . 0.0 110.014 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.585 ' CD2' ' HA ' ' A' ' 11' ' ' PHE . 5.9 m-30 -92.14 18.27 8.35 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.247 -0.908 . . . . 0.0 110.351 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.537 ' CG ' ' O ' ' A' ' 15' ' ' MET . 20.9 ptm -96.96 117.1 30.4 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.082 -1.011 . . . . 0.0 110.356 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 11.3 tttt -95.74 92.39 6.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.195 -0.941 . . . . 0.0 109.971 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 78.1 m-20 58.12 51.31 8.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.396 -0.815 . . . . 0.0 110.253 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.24 -14.46 49.94 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.461 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -94.58 106.13 18.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.153 -1.204 . . . . 0.0 110.34 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.926 HD23 ' HA ' ' A' ' 45' ' ' LYS . 57.3 tp -91.17 120.78 32.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.171 -0.956 . . . . 0.0 110.261 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.579 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 6.3 p90 -96.18 86.03 4.15 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.227 -0.921 . . . . 0.0 109.778 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 43.1 t -57.51 -41.98 93.4 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.438 -0.789 . . . . 0.0 112.025 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -63.19 72.7 0.13 Allowed 'Trans proline' 0 C--N 1.318 -1.056 0 O-C-N 122.729 0.857 . . . . 0.0 110.767 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.524 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 19.9 tt0 -105.38 -91.18 0.4 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.355 -0.841 . . . . 0.0 109.789 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.593 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 60.1 t0 -138.97 74.91 1.49 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.835 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.731 ' O ' HD11 ' A' ' 38' ' ' ILE . 79.1 mttt -60.44 -8.77 2.93 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.167 -0.958 . . . . 0.0 111.092 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' LYS . 64.7 mmtt -41.05 -27.43 0.06 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.009 -1.057 . . . . 0.0 110.604 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 23.0 m-85 -59.05 -14.41 9.64 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.197 -0.939 . . . . 0.0 110.07 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.616 ' CE1' HD11 ' A' ' 35' ' ' ILE . 12.7 t80 -51.87 -19.89 1.97 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.284 -0.885 . . . . 0.0 110.274 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.53 -0.96 14.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.324 -0.86 . . . . 0.0 110.608 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.1 m -133.99 149.58 51.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.167 -0.958 . . . . 0.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -52.8 -47.86 67.31 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 0.0 110.126 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -57.29 -43.28 83.02 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.316 -0.865 . . . . 0.0 108.953 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.47 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.13 -41.07 82.03 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 108.261 -1.936 . . . . 0.0 108.261 178.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.616 HD11 ' CE1' ' A' ' 29' ' ' PHE . 1.8 mm -57.5 -37.77 59.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.371 -1.076 . . . . 0.0 109.175 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.458 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 10.0 mtp -75.17 -62.53 1.52 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.346 -0.846 . . . . 0.0 110.292 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.699 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -46.95 -50.18 19.38 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.142 -0.973 . . . . 0.0 109.229 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.731 HD11 ' O ' ' A' ' 26' ' ' LYS . 5.9 mt -51.43 -39.21 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.069 -1.02 . . . . 0.0 109.196 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 79.4 m-20 -66.84 -34.82 78.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.345 -0.847 . . . . 0.0 109.283 179.194 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 44' ' ' CYS . 10.6 mttt -69.94 -37.73 75.96 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.441 -0.787 . . . . 0.0 110.176 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.575 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 3.1 t -41.52 -67.4 0.26 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.262 -0.899 . . . . 0.0 110.347 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.501 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -53.54 -33.36 54.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.235 -0.916 . . . . 0.0 110.318 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.508 ' O ' ' CG ' ' A' ' 46' ' ' MET . 24.2 m -79.99 -23.85 41.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.231 -0.918 . . . . 0.0 110.209 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.519 ' HA ' HG12 ' A' ' 47' ' ' ILE . 72.7 m -86.19 -50.87 6.66 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.294 -0.879 . . . . 0.0 109.969 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.926 ' HA ' HD23 ' A' ' 20' ' ' LEU . 5.5 ptpt -50.75 -26.79 6.04 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.295 -0.878 . . . . 0.0 110.115 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.527 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 1.3 ppp? -79.05 -24.46 43.55 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.227 -0.921 . . . . 0.0 109.949 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.519 HG12 ' HA ' ' A' ' 44' ' ' CYS . 25.2 mm -62.99 -37.48 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.406 -0.809 . . . . 0.0 109.53 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.668 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.477 -0.765 . . . . 0.0 109.66 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.703 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 64.3 m-85 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.166 0.508 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.49 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 35.3 tt0 -45.46 -44.39 12.26 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.072 -1.017 . . . . 0.0 109.802 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.68 -18.09 18.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.278 -0.889 . . . . 0.0 109.903 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.62 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 9.9 m-85 -98.26 21.36 11.05 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.311 -0.868 . . . . 0.0 110.551 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.526 ' CG ' ' O ' ' A' ' 15' ' ' MET . 16.1 ptm -95.7 103.37 15.24 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.16 -0.963 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' LYS . 11.9 tttt -83.66 95.1 8.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.101 -1.0 . . . . 0.0 110.097 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 73.0 m-80 57.33 54.69 6.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.337 -0.852 . . . . 0.0 110.194 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.55 -2.48 62.85 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' LYS . 6.6 tmtt? -105.32 105.89 16.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.175 -1.191 . . . . 0.0 110.189 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.901 HD23 ' HA ' ' A' ' 45' ' ' LYS . 15.6 tp -85.36 117.4 24.26 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.292 -0.88 . . . . 0.0 110.16 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.62 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 9.3 p90 -95.58 86.68 4.51 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.178 -0.951 . . . . 0.0 109.627 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.611 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 30.5 t -55.9 -42.64 97.13 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.493 -0.754 . . . . 0.0 111.992 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.2 Cg_exo -62.28 82.0 0.1 OUTLIER 'Trans proline' 0 C--N 1.319 -1.004 0 O-C-N 122.656 0.819 . . . . 0.0 110.808 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.531 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 21.2 tt0 -115.54 -91.26 0.53 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.331 -0.856 . . . . 0.0 109.777 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.595 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 52.5 t0 -134.96 67.69 1.49 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.204 -0.935 . . . . 0.0 109.658 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.814 ' O ' HD11 ' A' ' 38' ' ' ILE . 75.8 mttt -53.22 -13.49 0.53 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.323 -0.861 . . . . 0.0 111.359 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' LYS . 71.0 mmtt -39.83 -27.54 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.114 -0.991 . . . . 0.0 110.628 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 50.5 m-85 -53.1 -19.92 3.28 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.132 -0.98 . . . . 0.0 109.681 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CE1' HD11 ' A' ' 35' ' ' ILE . 6.4 t80 -47.72 -22.2 0.49 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.414 -0.804 . . . . 0.0 110.31 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -68.5 -4.26 14.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -0.901 . . . . 0.0 110.544 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.6 p -135.99 153.38 51.4 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.12 -0.988 . . . . 0.0 110.344 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.647 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.8 tm? -53.56 -52.13 60.73 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.278 -0.889 . . . . 0.0 110.085 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -53.26 -38.2 62.82 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.396 -0.815 . . . . 0.0 108.973 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.461 ' HA3' ' O ' ' A' ' 28' ' ' PHE . . . -71.94 -46.27 37.78 Favored Glycine 0 N--CA 1.486 2.003 0 N-CA-C 108.114 -1.994 . . . . 0.0 108.114 178.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.619 HD11 ' CE1' ' A' ' 29' ' ' PHE . 2.2 mm -56.45 -34.56 41.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.299 -1.118 . . . . 0.0 109.116 179.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.458 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 6.2 mmm -74.98 -64.36 1.07 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.286 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.703 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -47.87 -48.71 31.09 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.097 -1.002 . . . . 0.0 109.187 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.814 HD11 ' O ' ' A' ' 26' ' ' LYS . 5.0 mt -51.45 -38.85 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.037 -1.039 . . . . 0.0 109.184 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 91.8 m-20 -67.91 -37.37 81.63 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.399 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' CYS . 38.6 mttt -70.54 -31.17 68.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.511 -0.743 . . . . 0.0 109.781 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.567 ' SG ' ' CE1' ' A' ' 11' ' ' PHE . 1.6 t -43.46 -66.55 0.36 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.173 -0.954 . . . . 0.0 110.153 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.35 64.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.282 -0.886 . . . . 0.0 110.097 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.537 ' O ' ' CG ' ' A' ' 46' ' ' MET . 88.8 m -69.76 -56.05 8.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.242 -0.911 . . . . 0.0 110.106 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.51 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 49.1 m -56.66 -36.35 69.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.272 -0.892 . . . . 0.0 110.125 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.901 ' HA ' HD23 ' A' ' 20' ' ' LEU . 20.1 ttmt -55.15 -45.9 75.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -0.891 . . . . 0.0 110.445 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.548 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.01 -22.78 64.97 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.145 -0.972 . . . . 0.0 110.298 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.548 ' N ' ' HG3' ' A' ' 46' ' ' MET . 38.8 mm -59.36 -37.35 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.208 -0.932 . . . . 0.0 109.834 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.757 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.4 mm? . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.844 . . . . 0.0 109.819 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.609 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 37.1 m-85 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.152 0.501 . . . . 0.0 110.433 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.547 ' HG3' ' CE ' ' A' ' 15' ' ' MET . 50.0 tt0 -45.23 -43.74 10.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.107 -0.995 . . . . 0.0 109.82 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.52 -19.49 48.61 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.366 -0.834 . . . . 0.0 109.907 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.643 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 15.9 m-30 -87.65 15.03 7.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.244 -0.91 . . . . 0.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.547 ' CE ' ' HG3' ' A' ' 12' ' ' GLN . 21.2 mtm -91.11 107.43 19.2 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.157 -0.964 . . . . 0.0 110.369 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.593 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 54.1 tttm -91.88 103.18 15.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.477 -0.765 . . . . 0.0 109.98 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 52.84 55.41 9.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.198 -0.939 . . . . 0.0 109.948 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.03 21.01 73.33 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 12.7 tmtt? -131.18 99.57 4.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.23 -1.159 . . . . 0.0 110.221 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.791 HD23 ' N ' ' A' ' 21' ' ' PHE . 4.0 tt -69.44 125.88 28.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.176 -0.952 . . . . 0.0 110.183 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.791 ' N ' HD23 ' A' ' 20' ' ' LEU . 6.7 p90 -107.83 81.28 1.48 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.161 -0.962 . . . . 0.0 110.251 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 7.9 t -54.01 -43.5 96.89 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.37 -0.832 . . . . 0.0 111.496 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.2 Cg_exo -63.03 75.29 0.12 Allowed 'Trans proline' 0 C--N 1.319 -1.021 0 O-C-N 122.778 0.883 . . . . 0.0 110.527 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.503 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 17.1 tt0 -120.22 -85.71 0.65 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.391 -0.818 . . . . 0.0 110.021 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.591 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 11.0 t0 -132.11 69.21 1.48 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.276 -0.89 . . . . 0.0 110.087 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 28' ' ' PHE . 66.4 mttt -66.21 -4.97 8.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.226 -0.921 . . . . 0.0 110.717 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 26' ' ' LYS . 43.4 mttm -40.56 -27.85 0.06 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.219 -0.925 . . . . 0.0 110.282 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 19.8 m-85 -49.84 -21.26 1.08 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.285 -0.884 . . . . 0.0 110.07 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 9.0 t80 -51.2 -19.03 1.05 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.271 -0.893 . . . . 0.0 110.619 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -67.29 -5.64 15.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.185 -0.947 . . . . 0.0 110.778 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.5 m -144.44 161.3 39.38 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.008 -1.057 . . . . 0.0 110.615 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.511 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.1 tm? -60.94 -58.04 10.1 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.334 -0.854 . . . . 0.0 110.055 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 36' ' ' MET . 59.4 m-20 -48.92 -37.28 19.44 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.57 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.89 -45.07 34.94 Favored Glycine 0 N--CA 1.482 1.745 0 N-CA-C 108.096 -2.002 . . . . 0.0 108.096 178.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' A' ' 35' ' ' ILE . 6.7 mm -56.05 -32.03 32.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.349 -1.089 . . . . 0.0 109.281 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.456 ' HB2' ' O ' ' A' ' 33' ' ' ASP . 3.2 mtt -57.64 -60.97 2.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.291 -0.881 . . . . 0.0 110.312 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.99 -52.06 12.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.167 -0.958 . . . . 0.0 109.531 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.642 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 10.6 mt -51.17 -34.59 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.759 -1.213 . . . . 0.0 109.728 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -82.64 -19.65 37.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.422 -0.799 . . . . 0.0 110.127 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' CYS . 61.2 tttp -90.52 -28.78 18.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.253 -0.904 . . . . 0.0 110.703 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.571 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 5.7 t -58.63 -74.17 0.07 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.107 -0.996 . . . . 0.0 110.584 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.3 -34.95 1.32 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.02 -1.05 . . . . 0.0 110.094 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.492 ' O ' ' HG3' ' A' ' 46' ' ' MET . 98.4 m -79.59 -24.73 41.82 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.874 . . . . 0.0 109.516 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.535 ' HA ' HG12 ' A' ' 47' ' ' ILE . 10.1 t -85.16 -43.51 13.77 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.48 -0.763 . . . . 0.0 109.547 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.551 ' HA ' HD12 ' A' ' 48' ' ' LEU . 27.8 tttt -51.91 -45.09 64.11 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.318 -0.864 . . . . 0.0 109.867 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.492 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.5 OUTLIER -60.34 -26.83 66.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.261 -0.899 . . . . 0.0 109.931 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.535 HG12 ' HA ' ' A' ' 44' ' ' CYS . 24.4 mm -57.49 -36.98 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.24 -0.912 . . . . 0.0 109.517 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 45' ' ' LYS . 1.2 mt . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.385 -0.822 . . . . 0.0 109.822 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.689 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 62.8 m-85 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.055 0.455 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.497 ' O ' ' CG ' ' A' ' 15' ' ' MET . 40.2 tt0 -46.59 -48.34 19.66 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.058 -1.026 . . . . 0.0 109.053 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.94 -19.64 13.02 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.309 -0.87 . . . . 0.0 109.455 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.618 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 14.1 m-30 -89.4 12.9 14.99 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.265 -0.897 . . . . 0.0 110.405 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 15' ' ' MET . 14.0 ptm -92.76 103.92 16.24 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.055 -1.028 . . . . 0.0 110.381 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 19' ' ' LYS . 11.9 ttmt -87.3 91.96 8.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.117 -0.99 . . . . 0.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 76.0 m-20 57.67 53.15 7.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.29 -0.881 . . . . 0.0 110.178 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.49 -3.38 85.15 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . 6.6 tmtm? -101.35 102.76 13.66 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.126 -1.22 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.737 HD12 HD11 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -89.83 103.99 16.59 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.252 -0.905 . . . . 0.0 110.073 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 8.0 p90 -87.54 69.21 9.76 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.139 -0.976 . . . . 0.0 110.01 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.622 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -45.11 -50.26 27.97 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.434 -0.791 . . . . 0.0 111.493 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.7 Cg_exo -59.2 78.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.315 -1.227 0 O-C-N 123.165 1.087 . . . . 0.0 110.809 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.508 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 5.3 tt0 -105.94 -89.29 0.43 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.543 -0.723 . . . . 0.0 109.488 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.58 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 41.6 t0 -130.6 70.14 1.45 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.292 -0.88 . . . . 0.0 109.532 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.635 ' O ' HD11 ' A' ' 38' ' ' ILE . 25.4 mttt -54.98 -14.39 1.47 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.341 -0.85 . . . . 0.0 111.019 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' LYS . 27.1 mmtp -41.42 -26.84 0.07 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.102 -0.998 . . . . 0.0 110.289 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 31.2 m-85 -54.12 -18.25 3.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.145 -0.972 . . . . 0.0 110.002 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.726 ' CE1' HD11 ' A' ' 35' ' ' ILE . 20.7 t80 -49.42 -20.83 0.77 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.229 -0.919 . . . . 0.0 110.448 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -70.21 -1.97 11.82 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.209 -0.932 . . . . 0.0 110.701 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.4 m -136.41 149.12 48.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.128 -0.982 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -52.08 -47.01 65.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.25 -0.906 . . . . 0.0 110.123 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -56.93 -41.65 78.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.375 -0.828 . . . . 0.0 109.119 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.466 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -68.51 -45.69 66.41 Favored Glycine 0 N--CA 1.485 1.944 0 N-CA-C 108.273 -1.931 . . . . 0.0 108.273 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.726 HD11 ' CE1' ' A' ' 29' ' ' PHE . 4.8 mm -55.38 -36.72 41.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 121.373 -1.075 . . . . 0.0 109.157 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.453 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 2.6 mtt -69.21 -65.41 0.71 Allowed 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.93 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.689 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -48.29 -51.14 27.19 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 119.444 -0.902 . . . . 0.0 108.934 179.753 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.635 HD11 ' O ' ' A' ' 26' ' ' LYS . 8.1 mt -48.7 -37.67 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.152 -0.968 . . . . 0.0 109.192 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 36' ' ' MET . 43.8 m-20 -73.17 -31.18 64.07 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.437 -0.789 . . . . 0.0 109.152 179.046 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' CYS . 18.9 mttt -77.33 -30.98 54.23 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.469 -0.769 . . . . 0.0 109.364 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.581 ' CA ' ' CZ ' ' A' ' 11' ' ' PHE . 2.2 t -41.09 -72.7 0.06 Allowed 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.556 0.693 . . . . 0.0 109.949 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.65 -32.47 59.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.609 -0.682 . . . . 0.0 110.391 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.526 ' O ' ' CG ' ' A' ' 46' ' ' MET . 25.5 m -69.08 -58.72 3.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.187 -0.946 . . . . 0.0 110.106 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.519 ' O ' HD12 ' A' ' 48' ' ' LEU . 10.6 t -49.56 -37.12 25.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.218 -0.926 . . . . 0.0 110.197 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HA ' HD12 ' A' ' 48' ' ' LEU . 37.8 tttt -57.78 -46.9 83.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.342 -0.848 . . . . 0.0 110.49 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.581 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -66.98 -24.64 66.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.1 -1.0 . . . . 0.0 110.238 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.581 ' N ' ' HG3' ' A' ' 46' ' ' MET . 17.9 mm -63.15 -37.13 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.241 -0.912 . . . . 0.0 109.34 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.737 HD11 HD12 ' A' ' 20' ' ' LEU . 1.1 mt . . . . . 0 C--N 1.304 -1.393 0 O-C-N 121.514 -0.741 . . . . 0.0 109.631 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.591 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 79.7 m-85 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.152 0.501 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.532 ' O ' ' HE2' ' A' ' 15' ' ' MET . 29.9 tt0 -44.65 -45.82 9.85 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.208 -0.933 . . . . 0.0 109.881 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.49 -19.55 57.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.291 -0.881 . . . . 0.0 110.042 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.673 ' CD2' ' NE2' ' A' ' 24' ' ' GLN . 17.0 m-30 -88.66 15.18 8.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.204 -0.935 . . . . 0.0 110.455 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.532 ' HE2' ' O ' ' A' ' 12' ' ' GLN . 23.3 mtm -86.11 128.41 34.87 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.119 -0.988 . . . . 0.0 110.426 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -112.09 99.65 8.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.473 -0.767 . . . . 0.0 110.052 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 52.67 52.11 14.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.241 -0.912 . . . . 0.0 110.005 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.49 18.34 79.87 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.431 ' HD2' ' C ' ' A' ' 19' ' ' LYS . 3.4 tmmm? -128.13 99.97 5.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.209 -1.171 . . . . 0.0 110.224 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.955 HD12 ' HA ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -81.83 115.93 21.27 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.304 -0.872 . . . . 0.0 109.979 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.625 ' N ' HD22 ' A' ' 20' ' ' LEU . 9.5 p90 -94.42 86.07 4.76 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.166 -0.959 . . . . 0.0 109.999 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.633 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 2.1 t -57.64 -42.84 97.71 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.359 -0.838 . . . . 0.0 111.528 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 2.7 Cg_endo -66.08 82.75 0.26 Allowed 'Trans proline' 0 C--N 1.315 -1.23 0 O-C-N 122.805 0.898 . . . . 0.0 111.132 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.673 ' NE2' ' CD2' ' A' ' 14' ' ' PHE . 5.1 pt20 -128.96 -110.44 0.27 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.106 -0.996 . . . . 0.0 109.711 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.575 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 39.1 m-20 -90.5 67.64 6.58 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.801 -1.187 . . . . 0.0 110.007 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 4.2 mtmp? -65.19 -5.62 7.32 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.191 -0.943 . . . . 0.0 111.055 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' LYS . 63.5 mmtt -44.33 -25.22 0.22 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.007 -1.058 . . . . 0.0 110.064 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.575 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 21.6 m-85 -48.15 -22.24 0.61 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.277 -0.89 . . . . 0.0 110.275 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 14.5 t80 -55.75 -15.91 3.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.227 -0.921 . . . . 0.0 110.56 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -68.33 -7.65 33.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.156 -0.965 . . . . 0.0 110.825 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.47 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 16.7 t -148.0 164.13 34.73 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.027 -1.045 . . . . 0.0 110.602 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.595 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.8 tm? -68.06 -53.84 22.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.294 -0.879 . . . . 0.0 110.149 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 36' ' ' MET . 55.8 t0 -54.79 -41.54 70.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.289 -0.882 . . . . 0.0 108.81 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.53 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.09 -37.49 60.0 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 107.785 -2.126 . . . . 0.0 107.785 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.588 HD13 HD12 ' A' ' 38' ' ' ILE . 1.7 mm -60.12 -39.54 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.571 -0.958 . . . . 0.0 109.441 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.452 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 68.2 mmm -43.38 -51.02 6.69 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.343 -0.848 . . . . 0.0 110.199 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -47.12 -47.31 23.35 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.184 -0.948 . . . . 0.0 109.566 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.636 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 8.9 mt -52.09 -39.21 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.766 -1.209 . . . . 0.0 109.78 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 36' ' ' MET . 96.7 m-20 -65.0 -39.23 93.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.358 -0.839 . . . . 0.0 109.843 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 44' ' ' CYS . 17.2 mttt -84.78 -22.47 29.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.442 -0.786 . . . . 0.0 110.022 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.489 ' SG ' ' CE1' ' A' ' 11' ' ' PHE . 1.2 t -60.21 -60.13 4.3 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.279 -0.888 . . . . 0.0 110.072 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -63.56 -31.52 72.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.299 -0.875 . . . . 0.0 110.236 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.522 ' O ' ' CG ' ' A' ' 46' ' ' MET . 91.5 m -79.71 -27.54 40.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.185 -0.947 . . . . 0.0 110.178 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.538 ' HA ' HG12 ' A' ' 47' ' ' ILE . 15.7 t -88.51 -46.45 9.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.235 -0.915 . . . . 0.0 110.19 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.955 ' HA ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -53.67 -26.9 24.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.209 -0.932 . . . . 0.0 110.216 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.522 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -77.52 -24.43 49.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.324 -0.86 . . . . 0.0 109.69 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.538 HG12 ' HA ' ' A' ' 44' ' ' CYS . 16.8 mm -64.51 -24.87 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.362 -0.836 . . . . 0.0 109.619 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.73 HD22 ' N ' ' A' ' 48' ' ' LEU . 2.6 mm? . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.331 -0.856 . . . . 0.0 109.645 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.596 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 69.4 m-85 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.257 0.551 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 15' ' ' MET . 14.2 tt0 -48.29 -37.96 17.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.052 -1.03 . . . . 0.0 109.596 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.55 -15.5 63.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.337 -0.852 . . . . 0.0 109.538 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 11' ' ' PHE . 14.8 m-30 -85.09 15.07 4.36 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.358 -0.839 . . . . 0.0 110.042 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 82.4 mtp -85.93 89.13 7.7 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.164 -0.96 . . . . 0.0 110.028 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 19' ' ' LYS . 76.4 tttt -79.97 103.33 9.78 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.413 -0.804 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 55.14 59.1 4.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.194 -0.941 . . . . 0.0 109.847 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.96 21.66 63.8 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 11.1 tmtt? -126.09 96.01 4.59 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.334 -1.098 . . . . 0.0 110.16 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 45' ' ' LYS . 8.0 tp -73.59 108.84 6.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.23 -0.918 . . . . 0.0 110.068 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 14' ' ' PHE . 27.8 p90 -96.06 76.3 3.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.172 -0.955 . . . . 0.0 110.06 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.611 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -58.23 -47.42 98.85 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.371 -0.831 . . . . 0.0 111.506 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.61 83.86 0.11 Allowed 'Trans proline' 0 C--N 1.314 -1.259 0 O-C-N 123.247 1.13 . . . . 0.0 110.973 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.506 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 14.5 tt0 -124.29 -78.76 0.6 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.459 -0.776 . . . . 0.0 109.878 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.585 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 26.5 t0 -129.73 74.14 1.57 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.441 -0.787 . . . . 0.0 109.926 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 16.6 mttt -66.38 -5.22 10.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.187 -0.946 . . . . 0.0 110.774 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LYS . 44.4 mttp -42.53 -26.56 0.12 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.056 -1.028 . . . . 0.0 110.215 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 21.5 m-85 -53.11 -18.85 2.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -0.878 . . . . 0.0 110.114 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.703 ' HB2' HD11 ' A' ' 38' ' ' ILE . 3.5 t80 -55.87 -18.06 7.92 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.298 -0.877 . . . . 0.0 110.534 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -63.67 -12.58 35.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.141 -0.974 . . . . 0.0 110.81 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.468 ' O ' ' HB ' ' A' ' 35' ' ' ILE . 13.6 t -133.51 154.09 51.11 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.043 -1.036 . . . . 0.0 110.672 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.741 ' O ' HD23 ' A' ' 32' ' ' LEU . 1.3 tt -61.4 -32.51 72.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.279 -0.888 . . . . 0.0 109.967 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -82.88 -40.11 20.67 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.393 -0.817 . . . . 0.0 109.701 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.561 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -73.16 -33.17 59.54 Favored Glycine 0 N--CA 1.486 1.973 0 N-CA-C 108.631 -1.788 . . . . 0.0 108.631 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.61 HG13 ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -74.11 -41.72 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.412 -1.052 . . . . 0.0 109.373 179.254 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.546 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 13.5 mtp -40.67 -40.88 1.39 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.914 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.636 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -50.27 -41.61 50.78 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.945 179.586 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.703 HD11 ' HB2' ' A' ' 29' ' ' PHE . 29.7 mt -53.71 -46.19 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.956 -1.09 . . . . 0.0 109.233 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -59.14 -33.59 71.07 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.638 -0.663 . . . . 0.0 109.921 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 41.7 mttt -90.61 -24.97 20.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.379 -0.826 . . . . 0.0 109.937 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.484 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 7.3 t -50.22 -75.34 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.287 -0.883 . . . . 0.0 110.192 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -52.76 -38.71 61.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.353 -0.842 . . . . 0.0 110.166 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.524 ' O ' ' CG ' ' A' ' 46' ' ' MET . 11.0 m -62.29 -59.64 4.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.211 -0.931 . . . . 0.0 109.957 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.478 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 94.5 m -44.11 -42.89 6.59 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.161 -0.962 . . . . 0.0 109.855 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 27.2 tttt -52.5 -44.54 65.74 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.287 -0.883 . . . . 0.0 110.198 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.573 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -72.83 -23.32 60.75 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.077 -1.015 . . . . 0.0 110.026 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.573 ' N ' ' HG3' ' A' ' 46' ' ' MET . 44.1 mm -61.25 -39.91 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.349 -0.844 . . . . 0.0 109.425 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.656 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.4 mm? . . . . . 0 N--CA 1.489 1.491 0 O-C-N 121.452 -0.78 . . . . 0.0 109.322 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.529 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 51.6 m-85 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.15 0.5 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.538 ' O ' ' HE2' ' A' ' 15' ' ' MET . 39.1 tt0 -47.32 -37.42 10.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.049 -1.032 . . . . 0.0 109.785 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.7 -14.79 62.59 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.219 -0.926 . . . . 0.0 109.849 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.587 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 8.7 m-30 -87.5 16.96 4.89 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.209 -0.932 . . . . 0.0 109.949 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.538 ' HE2' ' O ' ' A' ' 12' ' ' GLN . 52.8 mtm -85.98 144.3 27.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.272 -0.892 . . . . 0.0 110.465 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.596 ' HB2' ' CD2' ' A' ' 21' ' ' PHE . 2.9 tttp -125.84 96.38 4.74 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.491 -0.756 . . . . 0.0 109.809 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 51.37 48.65 22.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.245 -0.909 . . . . 0.0 109.719 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.99 16.31 77.14 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 16' ' ' LYS . 8.3 tmtt? -129.22 109.4 11.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.259 -1.142 . . . . 0.0 110.236 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.755 HD23 ' N ' ' A' ' 21' ' ' PHE . 2.0 tt -80.62 124.41 28.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.181 -0.95 . . . . 0.0 110.137 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.755 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.0 p90 -107.01 75.72 1.05 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.216 -0.927 . . . . 0.0 109.971 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.616 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 2.2 t -51.96 -45.4 92.92 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.42 -0.8 . . . . 0.0 111.325 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -61.83 70.36 0.1 Allowed 'Trans proline' 0 C--N 1.318 -1.044 0 O-C-N 122.912 0.954 . . . . 0.0 110.804 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 22' ' ' CYS . 11.5 tt0 -106.91 -74.02 0.67 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.354 -0.841 . . . . 0.0 109.754 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.584 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 50.4 m-20 -146.48 65.38 1.19 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.507 -0.745 . . . . 0.0 109.552 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.575 ' CA ' HD11 ' A' ' 38' ' ' ILE . 83.7 mttt -57.85 -12.16 2.9 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.377 -0.827 . . . . 0.0 110.966 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' LYS . 70.8 mmtt -41.58 -27.1 0.09 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.248 -0.907 . . . . 0.0 110.162 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 15.4 m-85 -52.29 -25.85 10.56 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.227 -0.921 . . . . 0.0 110.015 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.602 ' CD1' HD13 ' A' ' 35' ' ' ILE . 62.4 t80 -41.35 -26.29 0.06 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.404 -0.81 . . . . 0.0 110.519 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 28' ' ' PHE . 36.9 mt-30 -65.36 -7.39 13.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.243 -0.911 . . . . 0.0 110.64 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -130.51 149.96 51.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.118 -0.989 . . . . 0.0 110.275 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HA ' ' HB ' ' A' ' 35' ' ' ILE . 13.5 tp -47.03 -55.19 8.64 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.202 -0.936 . . . . 0.0 110.174 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -50.72 -38.02 44.94 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.223 -0.923 . . . . 0.0 108.579 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.498 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -73.23 -44.3 35.56 Favored Glycine 0 N--CA 1.483 1.795 0 N-CA-C 107.859 -2.096 . . . . 0.0 107.859 178.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.602 HD13 ' CD1' ' A' ' 29' ' ' PHE . 1.7 mm -55.35 -36.71 41.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.301 -1.117 . . . . 0.0 108.742 178.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' PHE . 12.8 mmm -74.41 -64.97 0.91 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.629 -0.829 . . . . 0.0 110.015 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -44.96 -50.23 10.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.133 -0.98 . . . . 0.0 109.043 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.614 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 22.2 mm -47.82 -41.44 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.867 -1.146 . . . . 0.0 109.305 178.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 31.3 m-20 -71.18 -31.23 67.39 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.526 -0.734 . . . . 0.0 110.011 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.522 ' HA ' ' HB ' ' A' ' 43' ' ' THR . 16.3 mtpt -84.85 -17.97 36.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.867 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -55.5 -63.83 1.04 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.107 -0.996 . . . . 0.0 110.199 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' A' ' 46' ' ' MET . . . -75.54 -30.91 59.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 110.217 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.522 ' HB ' ' HA ' ' A' ' 40' ' ' LYS . 98.2 m -69.22 -31.82 70.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.378 -0.826 . . . . 0.0 110.335 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.521 ' HA ' HG12 ' A' ' 47' ' ' ILE . 88.7 m -86.09 -39.89 16.28 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.213 -0.93 . . . . 0.0 109.963 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.603 ' HA ' HD12 ' A' ' 48' ' ' LEU . 11.1 ttmm -55.0 -46.25 75.15 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.191 -0.943 . . . . 0.0 109.729 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.543 ' SD ' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -58.9 -31.09 68.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.319 -0.863 . . . . 0.0 110.107 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.543 HD13 ' SD ' ' A' ' 46' ' ' MET . 14.6 mm -56.48 -37.94 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.24 -0.912 . . . . 0.0 109.602 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 45' ' ' LYS . 1.8 mt . . . . . 0 N--CA 1.488 1.443 0 O-C-N 121.37 -0.831 . . . . 0.0 109.681 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.591 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 7.3 m-85 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.122 0.487 . . . . 0.0 110.2 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.458 ' O ' ' SD ' ' A' ' 15' ' ' MET . 5.7 tp60 -46.23 -28.62 1.32 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.09 -1.006 . . . . 0.0 109.607 179.778 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.22 -23.82 61.29 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.273 -0.892 . . . . 0.0 109.702 179.618 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 11' ' ' PHE . 10.5 m-85 -90.39 18.56 6.01 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.317 -0.865 . . . . 0.0 110.142 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.529 ' CG ' ' O ' ' A' ' 15' ' ' MET . 19.6 ptt? -95.99 119.89 35.29 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.172 -0.955 . . . . 0.0 110.299 -179.824 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 84.8 tttt -96.52 89.72 5.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.184 -0.948 . . . . 0.0 110.105 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.446 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 16.7 t-20 64.08 52.48 2.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.24 -0.912 . . . . 0.0 110.23 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.22 -1.54 75.1 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -107.21 102.83 12.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.183 -1.186 . . . . 0.0 110.211 -179.961 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.5 tm? -82.0 114.92 20.9 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.223 -0.923 . . . . 0.0 110.18 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.589 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 11.6 p90 -97.37 86.72 3.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -0.912 . . . . 0.0 109.849 179.529 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.61 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 2.7 t -50.79 -45.91 86.74 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.336 -0.853 . . . . 0.0 111.183 -179.847 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -62.38 82.11 0.1 Allowed 'Trans proline' 0 C--N 1.318 -1.063 0 O-C-N 122.859 0.926 . . . . 0.0 110.802 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.452 ' O ' ' HB3' ' A' ' 25' ' ' ASP . 12.4 tt0 -129.96 77.59 1.8 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.323 -0.86 . . . . 0.0 109.591 179.481 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 35.2 t0 56.45 54.57 7.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.371 -0.831 . . . . 0.0 109.583 -179.38 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.543 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 75.8 mttt -57.13 -12.41 2.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.428 -0.795 . . . . 0.0 110.888 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 66.2 mmtt -40.69 -26.08 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.283 -0.886 . . . . 0.0 110.439 179.781 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 8.2 m-85 -41.4 -28.11 0.11 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.375 -0.828 . . . . 0.0 109.888 179.735 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.629 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 6.1 t80 -41.95 -25.63 0.07 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.413 -0.805 . . . . 0.0 110.611 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' PHE . 28.5 mt-30 -63.93 -8.9 12.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.237 -0.914 . . . . 0.0 110.584 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 71.1 m -136.66 146.73 46.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.123 -0.986 . . . . 0.0 110.439 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tt -47.06 -57.72 4.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.264 -0.898 . . . . 0.0 110.008 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -51.32 -35.95 40.43 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.407 -0.808 . . . . 0.0 108.858 179.604 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.544 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -73.29 -42.93 40.58 Favored Glycine 0 N--CA 1.485 1.956 0 N-CA-C 108.227 -1.949 . . . . 0.0 108.227 178.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.629 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 2.5 mm -59.17 -34.61 54.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.268 -1.137 . . . . 0.0 109.464 179.221 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.445 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 8.5 mtp -62.01 -59.52 4.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.266 -0.896 . . . . 0.0 110.224 179.69 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.655 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.33 -54.18 4.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.23 -0.919 . . . . 0.0 109.538 -179.7 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.655 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 9.8 mt -50.52 -39.1 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.758 -1.214 . . . . 0.0 109.667 179.291 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 36' ' ' MET . 46.4 m-20 -62.43 -38.54 90.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.334 -0.853 . . . . 0.0 109.577 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 44' ' ' CYS . 7.9 mttp -87.65 -18.37 29.75 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.487 -0.758 . . . . 0.0 109.882 179.528 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -56.22 -67.74 0.27 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.303 -0.873 . . . . 0.0 110.172 179.936 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.469 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -66.12 -27.83 68.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.248 -0.907 . . . . 0.0 110.476 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.508 ' O ' ' CG ' ' A' ' 46' ' ' MET . 77.6 m -80.14 -18.87 48.6 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.142 -0.974 . . . . 0.0 110.217 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 40' ' ' LYS . 54.1 t -92.3 -51.84 4.96 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.287 -0.883 . . . . 0.0 110.301 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.524 ' HG3' ' N ' ' A' ' 46' ' ' MET . 2.2 ptpt -53.3 -25.99 16.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.201 -0.937 . . . . 0.0 109.931 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.524 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -73.97 -25.43 59.93 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.341 -0.849 . . . . 0.0 109.891 179.867 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.51 ' CD1' ' SD ' ' A' ' 46' ' ' MET . 8.8 mm -71.23 -33.93 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.309 -0.869 . . . . 0.0 109.546 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.698 HD13 ' HB3' ' A' ' 20' ' ' LEU . 1.1 mt . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.478 -0.764 . . . . 0.0 109.843 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.2 mttp . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.246 0.546 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -78.48 150.26 33.0 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.263 -0.898 . . . . 0.0 110.213 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 7' ' ' MET . 94.3 mt-10 -71.93 -5.07 32.01 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.277 -0.89 . . . . 0.0 110.14 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -77.86 1.71 19.58 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.255 -0.903 . . . . 0.0 110.169 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -122.42 -30.35 3.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.241 -0.912 . . . . 0.0 109.886 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.577 ' O ' ' CE1' ' A' ' 9' ' ' HIS . 79.4 mt-10 -136.5 53.87 1.9 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.421 -0.799 . . . . 0.0 109.811 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 6' ' ' GLU . 62.9 mmm -41.55 -39.83 1.68 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.357 -0.839 . . . . 0.0 110.426 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.2 m -91.61 103.57 16.15 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.259 -0.901 . . . . 0.0 110.248 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.577 ' CE1' ' O ' ' A' ' 6' ' ' GLU . 53.6 m80 -101.59 -48.72 4.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.0 110.234 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -87.88 -37.31 16.6 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.245 -0.909 . . . . 0.0 110.244 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.69 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 61.2 m-85 -69.36 -25.79 64.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.208 -0.933 . . . . 0.0 110.18 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.477 ' O ' ' CG ' ' A' ' 15' ' ' MET . 38.3 tt0 -46.46 -45.54 18.3 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.116 -0.99 . . . . 0.0 109.213 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.89 -18.83 36.64 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.3 -0.875 . . . . 0.0 109.753 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.64 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 15.3 m-30 -87.34 12.04 12.95 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 0.0 110.469 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.538 ' CG ' ' O ' ' A' ' 15' ' ' MET . 7.9 ptt? -98.83 117.95 34.48 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.049 -1.032 . . . . 0.0 110.625 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 19' ' ' LYS . 17.8 tptm -98.88 85.95 3.39 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.186 -0.946 . . . . 0.0 109.853 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 77.1 m-20 59.39 52.13 6.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.483 -0.76 . . . . 0.0 110.593 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.66 -8.8 78.21 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 15' ' ' MET . 0.0 OUTLIER -99.55 111.61 23.93 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.096 -1.238 . . . . 0.0 110.405 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.731 HD13 ' HA ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -95.61 103.56 15.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.175 -0.953 . . . . 0.0 110.138 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.64 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 8.3 p90 -90.73 65.36 5.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.201 -0.937 . . . . 0.0 110.017 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.604 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -50.98 -46.92 87.98 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.448 -0.783 . . . . 0.0 111.48 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.2 Cg_exo -63.82 84.45 0.14 Allowed 'Trans proline' 0 C--N 1.314 -1.258 0 O-C-N 123.19 1.1 . . . . 0.0 110.716 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.521 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 18.0 tt0 -121.7 -83.94 0.66 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.333 -0.854 . . . . 0.0 110.068 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.583 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 10.7 t0 -126.61 70.95 1.27 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.314 -0.866 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.681 ' O ' HD11 ' A' ' 38' ' ' ILE . 58.1 mttt -65.0 -7.03 10.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.202 -0.937 . . . . 0.0 110.77 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' LYS . 85.0 mttt -41.83 -27.25 0.11 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.126 -0.983 . . . . 0.0 110.107 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 20.5 m-85 -53.59 -19.49 3.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.253 -0.904 . . . . 0.0 109.867 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.695 ' CE1' HD11 ' A' ' 35' ' ' ILE . 19.4 t80 -46.93 -24.17 0.56 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.343 -0.848 . . . . 0.0 110.078 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.76 -5.0 18.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.381 -0.824 . . . . 0.0 110.46 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.7 m -130.08 165.12 22.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.127 -0.983 . . . . 0.0 110.222 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' ' 32' ' ' LEU . 4.1 tt -64.58 -50.76 65.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.252 -0.905 . . . . 0.0 110.154 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -55.2 -39.59 69.79 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.367 -0.833 . . . . 0.0 109.118 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.04 -48.75 45.44 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 108.241 -1.944 . . . . 0.0 108.241 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.695 HD11 ' CE1' ' A' ' 29' ' ' PHE . 4.0 mm -55.06 -35.38 34.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.297 -1.119 . . . . 0.0 109.037 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.471 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 26.6 mmm -74.06 -65.13 0.88 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.44 -0.787 . . . . 0.0 109.996 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -46.06 -50.53 15.06 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.123 -0.986 . . . . 0.0 108.844 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.681 HD11 ' O ' ' A' ' 26' ' ' LYS . 6.8 mt -51.44 -39.43 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.115 -0.99 . . . . 0.0 109.477 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 98.3 m-20 -67.2 -35.91 80.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -0.86 . . . . 0.0 109.237 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -83.63 -14.56 51.67 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.53 -0.731 . . . . 0.0 109.433 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 8.1 t -65.26 -71.61 0.18 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.425 -0.797 . . . . 0.0 109.645 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.32 -30.33 4.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.522 -0.736 . . . . 0.0 109.823 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 46' ' ' MET . 91.9 m -80.05 -53.57 6.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.298 -0.876 . . . . 0.0 109.654 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.501 ' HA ' HG13 ' A' ' 47' ' ' ILE . 12.8 t -52.19 -26.12 10.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.277 -0.889 . . . . 0.0 109.878 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.731 ' HA ' HD13 ' A' ' 20' ' ' LEU . 28.7 tttt -67.74 -48.3 66.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.332 -0.855 . . . . 0.0 110.061 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.545 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -63.68 -22.65 67.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.247 -0.908 . . . . 0.0 109.901 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.545 ' N ' ' HG3' ' A' ' 46' ' ' MET . 34.8 mm -60.19 -38.13 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.378 -0.826 . . . . 0.0 109.552 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.727 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.5 mm? -74.46 -39.93 62.22 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.381 -0.824 . . . . 0.0 109.864 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -56.53 -25.73 52.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.337 -0.852 . . . . 0.0 110.118 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -67.02 -34.52 77.91 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.278 -0.889 . . . . 0.0 110.261 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.66 -23.99 66.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.311 -0.868 . . . . 0.0 110.139 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.58 -22.69 61.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.298 -0.876 . . . . 0.0 110.176 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -80.71 -24.04 39.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.184 -0.947 . . . . 0.0 110.244 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.2 m -75.57 -20.69 58.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.22 -0.925 . . . . 0.0 110.209 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 13.9 pt20 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.226 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 1' ' ' LYS . 17.6 ptpt . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.203 0.525 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.52 ' ND2' ' HB2' ' A' ' 4' ' ' ASP . 58.9 t30 -94.35 122.59 37.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.302 -0.873 . . . . 0.0 110.202 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.419 ' OE2' ' HB3' ' A' ' 51' ' ' GLU . 92.8 mt-10 -55.28 -20.28 10.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.265 -0.897 . . . . 0.0 110.196 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.52 ' HB2' ' ND2' ' A' ' 2' ' ' ASN . 55.4 m-20 -80.26 5.36 14.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.242 -0.911 . . . . 0.0 110.123 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -116.37 -30.02 6.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.282 -0.886 . . . . 0.0 109.38 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.463 ' O ' ' O ' ' A' ' 7' ' ' MET . 96.4 mt-10 -125.32 24.71 7.31 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.604 -0.685 . . . . 0.0 109.306 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.463 ' O ' ' O ' ' A' ' 6' ' ' GLU . 14.9 ptt? -41.6 165.4 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.548 -0.72 . . . . 0.0 110.443 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.8 t -145.26 96.05 2.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.271 -0.893 . . . . 0.0 110.139 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -86.73 -16.38 36.59 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.307 -0.87 . . . . 0.0 110.122 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.33 -32.98 74.72 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.162 -0.961 . . . . 0.0 110.266 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.592 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 39.5 m-85 -96.6 -16.67 20.9 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.279 -0.888 . . . . 0.0 110.356 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 15' ' ' MET . 49.4 tt0 -46.57 -26.18 0.84 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.028 -1.045 . . . . 0.0 109.783 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.84 -22.39 59.79 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.248 -0.908 . . . . 0.0 109.767 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.618 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 13.5 m-85 -90.32 17.81 6.79 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.303 -0.873 . . . . 0.0 110.278 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.542 ' CG ' ' O ' ' A' ' 15' ' ' MET . 21.3 ptm -98.95 118.22 35.24 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.096 -1.002 . . . . 0.0 110.562 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 10.9 tttt -96.89 85.46 3.78 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.193 -0.942 . . . . 0.0 109.9 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 75.4 m-20 59.04 53.97 5.24 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.405 -0.809 . . . . 0.0 110.658 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.46 -16.29 58.1 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 15' ' ' MET . 1.7 tmtp? -92.73 129.64 38.59 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.097 -1.237 . . . . 0.0 110.094 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.582 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.2 tt -109.01 110.18 21.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.136 -0.977 . . . . 0.0 110.379 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 11.0 p90 -96.9 63.53 1.96 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.234 -0.916 . . . . 0.0 109.861 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.61 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.6 OUTLIER -51.53 -45.89 90.73 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.482 -0.761 . . . . 0.0 111.548 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.0 Cg_exo -65.3 79.09 0.23 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.171 1.09 . . . . 0.0 111.201 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 22' ' ' CYS . 5.6 pt20 -122.19 -112.96 0.32 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.129 -0.982 . . . . 0.0 109.461 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 20.0 t70 -93.29 69.3 4.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.869 -1.145 . . . . 0.0 109.73 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 28' ' ' PHE . 15.6 mtpt -68.0 -3.71 10.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.275 -0.891 . . . . 0.0 110.839 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LYS . 58.6 mttp -42.69 -26.34 0.12 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.161 -0.962 . . . . 0.0 110.236 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 24.7 m-85 -46.35 -23.86 0.41 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.254 -0.904 . . . . 0.0 110.316 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.51 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 18.2 t80 -42.5 -25.0 0.07 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.211 -0.93 . . . . 0.0 110.78 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' PHE . 20.3 pt20 -72.14 0.13 10.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.176 -0.953 . . . . 0.0 110.738 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -137.06 158.83 43.56 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.1 -1.0 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.69 -52.04 66.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 110.181 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -53.51 -35.65 60.89 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.288 -0.882 . . . . 0.0 109.11 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.464 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -70.84 -52.08 16.5 Favored Glycine 0 N--CA 1.486 2.015 0 N-CA-C 108.292 -1.923 . . . . 0.0 108.292 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.503 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 3.7 mm -53.63 -31.45 19.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 O-C-N 121.206 -1.173 . . . . 0.0 108.986 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.454 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 7.3 mmt -74.37 -66.51 0.72 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.361 -0.837 . . . . 0.0 110.025 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.622 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.65 -49.71 14.12 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.029 -1.044 . . . . 0.0 108.994 179.777 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.622 ' CG1' ' CE1' ' A' ' 37' ' ' PHE . 9.3 mt -51.91 -37.57 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.072 -1.018 . . . . 0.0 109.554 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 98.8 m-20 -70.15 -37.76 75.33 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.347 -0.846 . . . . 0.0 109.684 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.5 ' HA ' ' HB ' ' A' ' 43' ' ' THR . 39.9 mttt -83.51 -17.87 40.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.516 -0.74 . . . . 0.0 109.398 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.545 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 42.8 t -50.14 -68.07 0.2 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.497 -0.752 . . . . 0.0 110.157 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.75 74.56 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.453 -0.779 . . . . 0.0 110.388 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 46' ' ' MET . 98.4 m -69.36 -37.66 77.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.237 -0.915 . . . . 0.0 110.071 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.519 ' HA ' HG12 ' A' ' 47' ' ' ILE . 97.7 m -76.69 -29.68 56.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.265 -0.897 . . . . 0.0 109.728 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.582 ' HA ' HD13 ' A' ' 20' ' ' LEU . 31.3 tttt -62.81 -44.26 96.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.331 -0.855 . . . . 0.0 109.939 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.525 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -63.9 -25.17 68.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.278 -0.888 . . . . 0.0 109.89 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.519 HG12 ' HA ' ' A' ' 44' ' ' CYS . 20.7 mm -57.16 -42.38 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.385 -0.822 . . . . 0.0 109.768 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.688 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? -70.06 -39.5 75.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.311 -0.868 . . . . 0.0 109.944 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 66.5 mm-40 -62.88 -28.72 70.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.289 -0.882 . . . . 0.0 110.102 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 46' ' ' MET . 78.4 mttt -59.4 -49.66 76.94 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.264 -0.897 . . . . 0.0 110.163 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 2.0 pt-20 -69.28 -19.6 63.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.26 -0.9 . . . . 0.0 110.2 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.461 ' N ' ' HG3' ' A' ' 51' ' ' GLU . . . -67.28 -17.69 64.89 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.242 -0.911 . . . . 0.0 110.258 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -82.12 -38.04 25.36 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.259 -0.901 . . . . 0.0 110.175 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.9 p -66.07 -17.1 64.48 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.299 -0.876 . . . . 0.0 110.195 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.185 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 95.7 mttt . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.284 0.564 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -91.14 122.9 34.18 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.203 -0.935 . . . . 0.0 110.117 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -68.24 -8.29 37.9 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.189 -0.944 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 5' ' ' GLN . 11.2 t0 -88.91 -29.91 19.25 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -0.912 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.493 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 2.0 tt0 69.86 -71.64 0.12 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.236 -0.915 . . . . 0.0 109.789 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.507 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 73.9 mm-40 -69.04 59.73 0.1 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.408 -0.808 . . . . 0.0 109.756 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 5' ' ' GLN . 95.3 mtp -41.75 -28.54 0.15 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.377 -0.827 . . . . 0.0 110.432 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 11' ' ' PHE . 20.9 t -96.96 119.84 36.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.221 -0.925 . . . . 0.0 110.383 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.507 ' NE2' ' O ' ' A' ' 6' ' ' GLU . 48.7 m80 -121.92 -22.07 5.84 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.267 -0.896 . . . . 0.0 110.275 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -65.81 -43.82 87.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.176 -0.952 . . . . 0.0 110.175 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.599 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 59.9 m-85 -82.97 -19.06 37.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.204 -0.935 . . . . 0.0 110.156 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.455 ' O ' ' HG2' ' A' ' 15' ' ' MET . 61.0 tt0 -46.45 -39.48 10.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.146 -0.971 . . . . 0.0 109.453 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.52 -20.25 64.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.396 -0.815 . . . . 0.0 109.762 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.633 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 7.1 m-30 -92.6 17.62 9.91 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.337 -0.852 . . . . 0.0 110.46 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.551 ' CG ' ' O ' ' A' ' 15' ' ' MET . 21.2 ptm -99.05 115.9 30.05 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.012 -1.055 . . . . 0.0 110.794 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -95.98 87.62 4.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.193 -0.942 . . . . 0.0 109.782 179.584 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 76.2 m-20 58.4 51.88 7.77 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.89 . . . . 0.0 110.285 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.13 -11.56 66.99 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.49 ' C ' ' CD ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -95.71 111.25 23.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.022 -1.281 . . . . 0.0 110.297 -179.83 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 21' ' ' PHE . 1.5 tt -93.27 114.77 27.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.098 -1.001 . . . . 0.0 110.227 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.633 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 7.4 p90 -99.11 69.27 1.72 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.141 -0.974 . . . . 0.0 110.04 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.61 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -48.75 -48.89 69.12 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.517 -0.74 . . . . 0.0 111.45 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.4 Cg_exo -61.99 83.12 0.1 OUTLIER 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.247 1.13 . . . . 0.0 110.784 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.495 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 13.1 tt0 -126.56 -77.11 0.58 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.455 -0.778 . . . . 0.0 109.867 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.586 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 29.8 t0 -136.28 76.91 1.63 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.364 -0.835 . . . . 0.0 110.041 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.588 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 30.8 mtpt -68.84 -2.71 10.2 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.199 -0.938 . . . . 0.0 110.826 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 26' ' ' LYS . 71.4 mttt -41.69 -27.98 0.13 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.151 -0.968 . . . . 0.0 110.188 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.587 ' HB3' ' CA ' ' A' ' 34' ' ' GLY . 22.9 m-85 -48.77 -21.57 0.65 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.412 -0.805 . . . . 0.0 110.381 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.588 ' HB2' HD11 ' A' ' 38' ' ' ILE . 9.7 t80 -53.02 -18.17 1.87 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.224 -0.922 . . . . 0.0 110.498 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -68.74 -4.34 15.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.15 -0.969 . . . . 0.0 110.877 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 35' ' ' ILE . 34.5 m -144.45 160.69 40.66 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.024 -1.048 . . . . 0.0 110.557 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.78 -59.83 4.76 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.276 -0.89 . . . . 0.0 109.851 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -50.95 -37.43 44.37 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.587 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.75 -39.6 54.97 Favored Glycine 0 N--CA 1.483 1.801 0 N-CA-C 108.161 -1.976 . . . . 0.0 108.161 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' SER . 2.0 mm -59.64 -36.3 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.496 -1.002 . . . . 0.0 109.601 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' PHE . 33.8 mmt -54.07 -55.75 24.53 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.321 -0.862 . . . . 0.0 110.349 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.632 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.86 -52.72 6.58 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.174 -0.953 . . . . 0.0 109.727 -179.758 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.632 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 7.6 mt -51.24 -36.89 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.806 -1.184 . . . . 0.0 109.85 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.02 -31.69 69.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 109.857 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.452 ' HA ' ' HB ' ' A' ' 43' ' ' THR . 53.5 mttt -95.49 -15.09 23.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.321 -0.862 . . . . 0.0 109.869 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.545 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 17.9 t -54.33 -71.8 0.07 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.405 -0.809 . . . . 0.0 110.165 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -61.91 -34.0 75.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.417 -0.802 . . . . 0.0 110.158 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.522 ' O ' ' CG ' ' A' ' 46' ' ' MET . 34.2 m -67.55 -58.29 4.96 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.222 -0.923 . . . . 0.0 109.932 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.501 ' HA ' HG13 ' A' ' 47' ' ' ILE . 42.0 t -52.38 -27.71 16.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.189 -0.944 . . . . 0.0 109.926 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 44.0 tttt -64.71 -49.05 72.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.156 -0.965 . . . . 0.0 109.936 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -64.06 -23.33 67.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.265 -0.897 . . . . 0.0 109.97 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.554 ' N ' ' HG3' ' A' ' 46' ' ' MET . 48.7 mm -57.35 -39.96 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.248 -0.908 . . . . 0.0 109.628 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.73 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -73.22 -39.91 65.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.346 -0.846 . . . . 0.0 109.678 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -64.47 -22.85 67.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.314 -0.867 . . . . 0.0 109.883 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 46' ' ' MET . 65.7 mmtt -75.56 -41.17 55.52 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.353 -0.842 . . . . 0.0 110.099 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -59.29 -26.34 64.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.297 -0.877 . . . . 0.0 110.124 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -79.47 130.08 35.07 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.317 -0.864 . . . . 0.0 110.187 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 94.4 mttt 56.96 40.93 28.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.219 -0.926 . . . . 0.0 110.205 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 t -63.99 -17.16 63.04 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.329 -0.857 . . . . 0.0 110.206 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.208 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.325 0.583 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -93.17 132.28 37.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.265 -0.897 . . . . 0.0 110.301 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 7' ' ' MET . 52.1 mt-10 -60.47 -26.03 66.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.334 -0.854 . . . . 0.0 110.143 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -65.46 -17.46 64.57 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.219 -0.925 . . . . 0.0 110.155 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.436 ' OE1' ' HA ' ' A' ' 5' ' ' GLN . 49.5 mm-40 -85.71 -46.21 10.93 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.263 -0.898 . . . . 0.0 109.552 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 7' ' ' MET . 14.1 mp0 -89.82 -10.12 46.62 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.545 -0.722 . . . . 0.0 109.411 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 3' ' ' GLU . 48.9 mtm 58.81 -142.99 0.63 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.492 -0.755 . . . . 0.0 110.349 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 62.7 m -101.14 116.14 32.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.333 -0.854 . . . . 0.0 110.358 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.583 ' CD2' ' NZ ' ' A' ' 40' ' ' LYS . 28.9 p80 -107.42 -24.67 11.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.25 -0.906 . . . . 0.0 109.938 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.529 ' HB2' ' CE1' ' A' ' 9' ' ' HIS . 32.4 tt0 -96.25 -42.76 8.02 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.284 -0.885 . . . . 0.0 110.082 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.581 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 44.0 m-85 -78.54 -18.33 54.87 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 110.148 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 15' ' ' MET . 12.7 tt0 -47.44 -39.78 16.44 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.103 -0.998 . . . . 0.0 109.681 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.02 -16.79 62.43 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.298 -0.877 . . . . 0.0 109.646 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.63 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 18.1 m-30 -86.43 14.12 7.21 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.387 -0.82 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 85.9 mtp -88.96 102.98 15.61 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.229 -0.919 . . . . 0.0 110.455 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 19' ' ' LYS . 38.9 ttmt -98.5 103.84 15.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.472 -0.768 . . . . 0.0 110.075 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.83 56.02 5.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 0.0 110.043 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.81 24.33 69.8 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 1.3 tmtp? -129.31 108.85 10.63 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.313 -1.11 . . . . 0.0 110.251 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.536 ' C ' HD23 ' A' ' 20' ' ' LEU . 1.2 tt -83.54 105.83 14.79 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.255 -0.903 . . . . 0.0 110.082 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.63 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 26.6 p90 -91.46 71.88 6.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.019 -1.051 . . . . 0.0 109.982 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.61 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -49.66 -47.39 78.9 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.396 -0.815 . . . . 0.0 111.457 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.4 Cg_exo -62.35 73.86 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.185 0 O-C-N 123.094 1.05 . . . . 0.0 110.837 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 22' ' ' CYS . 10.6 tt0 -101.18 -52.72 3.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.415 -0.803 . . . . 0.0 109.722 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 53.6 t0 -165.03 64.67 0.13 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.474 -0.767 . . . . 0.0 109.861 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.893 ' O ' HD11 ' A' ' 38' ' ' ILE . 92.2 mttt -55.16 -15.04 1.94 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.368 -0.833 . . . . 0.0 110.899 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 96.8 mttt -41.32 -26.75 0.06 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.219 -0.925 . . . . 0.0 110.396 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 14.9 m-85 -53.61 -18.46 2.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 0.0 110.202 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.706 ' CE1' HD11 ' A' ' 35' ' ' ILE . 15.4 t80 -41.89 -26.24 0.08 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.28 -0.888 . . . . 0.0 110.444 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' PHE . 25.4 pt20 -66.97 -5.8 14.24 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.293 -0.879 . . . . 0.0 110.726 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.7 m -132.33 153.26 50.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.061 -1.025 . . . . 0.0 110.402 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.7 tt -53.28 -45.66 68.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.129 -0.982 . . . . 0.0 110.027 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -57.38 -39.75 76.73 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.344 -0.847 . . . . 0.0 109.133 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.472 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -70.21 -48.04 41.11 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 108.179 -1.968 . . . . 0.0 108.179 178.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.706 HD11 ' CE1' ' A' ' 29' ' ' PHE . 5.1 mm -56.08 -33.88 37.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 121.358 -1.083 . . . . 0.0 109.299 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.455 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 4.7 mtp -72.52 -64.17 1.01 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.389 -0.82 . . . . 0.0 110.008 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.645 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -50.05 -49.37 51.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.053 -1.029 . . . . 0.0 109.073 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.893 HD11 ' O ' ' A' ' 26' ' ' LYS . 6.9 mt -53.65 -35.35 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.049 -1.032 . . . . 0.0 109.487 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 92.5 m-20 -72.51 -38.93 67.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.469 -0.769 . . . . 0.0 109.916 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.583 ' NZ ' ' CD2' ' A' ' 9' ' ' HIS . 24.4 tttt -82.79 -22.18 34.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.498 -0.751 . . . . 0.0 109.76 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.533 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 8.5 t -54.66 -72.44 0.06 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.382 -0.824 . . . . 0.0 109.941 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.06 -31.04 17.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 0.0 109.918 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 46' ' ' MET . 95.1 m -80.1 -22.53 42.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.502 -0.749 . . . . 0.0 109.817 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.514 ' HA ' HG12 ' A' ' 47' ' ' ILE . 13.4 t -81.62 -42.35 20.15 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.311 -0.868 . . . . 0.0 109.543 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -54.53 -40.23 68.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.407 -0.808 . . . . 0.0 109.634 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.529 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -65.01 -23.63 67.27 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.205 -0.934 . . . . 0.0 109.858 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.529 ' N ' ' HG3' ' A' ' 46' ' ' MET . 27.3 mm -61.35 -37.28 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.35 -0.844 . . . . 0.0 109.562 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.72 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? -71.8 -38.82 70.18 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.415 -0.803 . . . . 0.0 109.679 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.11 -24.67 66.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.39 -0.819 . . . . 0.0 110.058 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HD3' ' OE1' ' A' ' 55' ' ' GLN . 25.3 mmtp -75.94 -46.98 27.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.32 -0.863 . . . . 0.0 110.175 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.443 ' OE1' HD13 ' A' ' 48' ' ' LEU . 67.2 mt-10 -53.45 -26.78 21.63 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.295 -0.878 . . . . 0.0 110.113 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.07 142.46 34.87 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.293 -0.879 . . . . 0.0 110.156 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -58.25 -17.33 18.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.219 -0.926 . . . . 0.0 110.24 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.455 ' O ' ' O ' ' A' ' 55' ' ' GLN . 65.3 m -63.06 -24.05 67.73 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.186 -0.946 . . . . 0.0 110.222 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.455 ' O ' ' O ' ' A' ' 54' ' ' SER . 4.7 tp60 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.193 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.27 0.557 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -85.38 129.84 34.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.228 -0.92 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -78.56 -12.0 59.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.285 -0.884 . . . . 0.0 110.083 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -152.61 84.9 1.24 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.289 -0.882 . . . . 0.0 110.075 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.426 ' O ' ' HB2' ' A' ' 6' ' ' GLU . 58.7 tt0 -133.18 73.03 1.5 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.204 -0.935 . . . . 0.0 110.333 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 40.7 mt-10 61.03 23.32 13.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.206 -0.934 . . . . 0.0 110.332 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 97.9 mtp -86.37 142.42 28.48 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.294 -0.879 . . . . 0.0 110.112 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.5 t -120.79 131.72 54.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.183 -0.948 . . . . 0.0 110.269 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -126.27 -9.26 6.41 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.264 -0.897 . . . . 0.0 110.33 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.609 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 17.6 pt-20 -79.79 -38.64 32.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.177 -0.952 . . . . 0.0 110.243 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.609 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 42.5 m-85 -82.31 -19.45 39.38 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.05 -1.031 . . . . 0.0 109.752 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.514 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 52.0 tt0 -46.41 -43.95 16.81 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.27 -0.894 . . . . 0.0 109.336 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.87 -20.7 38.53 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.348 -0.845 . . . . 0.0 109.537 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.658 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 9.3 m-30 -90.55 18.05 6.75 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.289 -0.882 . . . . 0.0 110.168 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.535 ' CG ' ' O ' ' A' ' 15' ' ' MET . 8.1 ptt? -100.09 118.39 36.35 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.202 -0.936 . . . . 0.0 110.496 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 16.8 tppt? -96.56 81.25 3.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.172 -0.955 . . . . 0.0 109.956 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.465 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER 66.88 52.9 0.88 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 110.048 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.57 -16.56 44.64 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -93.17 104.07 16.29 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.17 -1.194 . . . . 0.0 110.398 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' C ' HD23 ' A' ' 20' ' ' LEU . 2.2 tt -81.95 113.67 20.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.295 -0.878 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.658 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 7.5 p90 -97.71 70.31 2.19 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.219 -0.926 . . . . 0.0 109.971 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.611 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -48.7 -49.01 68.32 Favored Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.437 -0.789 . . . . 0.0 111.266 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.43 82.69 0.1 Allowed 'Trans proline' 0 C--N 1.314 -1.268 0 O-C-N 123.311 1.163 . . . . 0.0 110.791 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.478 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 11.6 tt0 -125.63 -76.48 0.59 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.506 -0.746 . . . . 0.0 109.741 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.573 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 19.8 t0 -136.03 78.21 1.7 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.4 -0.813 . . . . 0.0 109.887 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 35.8 mttt -68.94 -2.58 10.11 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.27 -0.894 . . . . 0.0 110.76 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LYS . 71.7 mttt -41.33 -27.23 0.08 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.171 -0.956 . . . . 0.0 110.322 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 25.7 m-85 -48.49 -21.33 0.54 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.312 -0.868 . . . . 0.0 110.533 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.886 ' CD2' HD11 ' A' ' 35' ' ' ILE . 9.3 t80 -55.86 -16.47 4.62 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.216 -0.927 . . . . 0.0 110.392 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -61.89 -11.0 10.79 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.207 -0.933 . . . . 0.0 110.975 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' ILE . 8.4 p -147.32 165.7 29.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.01 -1.056 . . . . 0.0 110.744 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.414 ' HA ' ' HB ' ' A' ' 35' ' ' ILE . 3.4 tt -62.41 -54.93 33.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.436 -0.79 . . . . 0.0 110.172 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -54.7 -39.1 67.81 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.282 -0.886 . . . . 0.0 108.991 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.565 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -73.87 -35.45 54.37 Favored Glycine 0 N--CA 1.484 1.893 0 N-CA-C 108.184 -1.966 . . . . 0.0 108.184 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.886 HD11 ' CD2' ' A' ' 29' ' ' PHE . 1.1 mm -64.01 -36.58 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.567 -0.961 . . . . 0.0 109.582 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.8 mtp -49.83 -52.4 32.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.271 -0.893 . . . . 0.0 110.489 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.635 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.72 -49.52 14.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.194 -0.941 . . . . 0.0 109.731 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 29' ' ' PHE . 16.5 mt -50.1 -38.38 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.95 -1.094 . . . . 0.0 109.825 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -72.86 -26.11 61.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.384 -0.822 . . . . 0.0 109.66 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.52 ' CD ' ' OE2' ' A' ' 10' ' ' GLU . 46.7 mttt -96.91 -12.22 23.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.492 -0.755 . . . . 0.0 109.763 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.546 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 8.7 t -60.61 -73.48 0.09 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.28 -0.888 . . . . 0.0 109.881 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -55.67 -32.06 62.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.473 -0.767 . . . . 0.0 110.026 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.54 ' O ' ' CG ' ' A' ' 46' ' ' MET . 18.7 m -72.82 -56.64 4.93 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 0.0 109.721 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.484 ' SG ' ' CD1' ' A' ' 11' ' ' PHE . 50.4 m -49.51 -23.89 1.81 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.104 -0.998 . . . . 0.0 109.645 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 38.5 tttt -69.59 -51.52 34.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.461 -0.774 . . . . 0.0 110.08 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -59.19 -26.08 64.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.097 -1.002 . . . . 0.0 109.712 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.537 ' N ' ' HG3' ' A' ' 46' ' ' MET . 24.0 mm -57.75 -38.86 67.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.362 -0.836 . . . . 0.0 109.459 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.693 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.6 mm? -69.63 -41.78 75.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.339 -0.85 . . . . 0.0 109.519 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -79.1 -16.7 56.36 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.324 -0.86 . . . . 0.0 109.525 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.477 ' HD3' ' O ' ' A' ' 50' ' ' LYS . 9.8 tmtt? -66.92 -38.25 85.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.432 -0.792 . . . . 0.0 110.071 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.97 -29.48 69.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.27 -0.894 . . . . 0.0 110.145 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.95 -26.71 39.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.317 -0.864 . . . . 0.0 110.283 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -72.5 -28.16 62.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.297 -0.877 . . . . 0.0 110.236 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -73.06 -15.56 61.5 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.29 -0.881 . . . . 0.0 110.213 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.24 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.222 0.534 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -94.43 143.6 26.27 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.23 -0.919 . . . . 0.0 110.23 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -76.56 -17.61 59.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.177 -0.952 . . . . 0.0 110.312 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 46.2 24.78 0.29 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.221 -0.924 . . . . 0.0 110.064 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -123.03 -13.33 7.82 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.235 -0.916 . . . . 0.0 109.749 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' MET . 18.8 pt-20 -144.19 25.62 1.55 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.539 -0.726 . . . . 0.0 109.072 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' GLU . 77.5 mtp -40.95 -45.42 2.56 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.584 -0.698 . . . . 0.0 110.367 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.6 t -87.9 124.7 33.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.299 -0.876 . . . . 0.0 110.327 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -109.64 -14.88 14.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.308 -0.87 . . . . 0.0 110.152 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -66.27 -42.99 87.69 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.273 -0.892 . . . . 0.0 110.3 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.554 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 44.3 m-85 -91.73 -14.95 29.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 110.403 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.478 ' O ' ' HE2' ' A' ' 15' ' ' MET . 41.4 tt0 -46.28 -25.67 0.67 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.174 -0.954 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.94 -20.39 45.76 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.898 . . . . 0.0 110.248 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.593 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 6.8 m-30 -88.01 18.74 4.01 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.194 -0.941 . . . . 0.0 110.079 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.478 ' HE2' ' O ' ' A' ' 12' ' ' GLN . 41.3 mtm -82.07 144.31 30.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.4 -0.812 . . . . 0.0 110.36 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 19' ' ' LYS . 4.0 tttt -127.52 90.99 3.21 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.394 -0.816 . . . . 0.0 109.722 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 79.5 m-20 56.04 49.87 14.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.351 -0.843 . . . . 0.0 109.727 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.77 10.43 85.14 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 16' ' ' LYS . 7.7 tmtt? -121.86 106.84 11.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.257 -1.143 . . . . 0.0 110.35 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.807 HD23 ' HA ' ' A' ' 45' ' ' LYS . 11.9 tp -86.61 117.03 25.11 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.345 -0.847 . . . . 0.0 110.032 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.593 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 8.7 p90 -95.57 85.23 4.13 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.072 -1.018 . . . . 0.0 110.067 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.615 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.7 OUTLIER -52.16 -46.37 93.66 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.382 -0.824 . . . . 0.0 111.368 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.05 83.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 122.933 0.965 . . . . 0.0 110.875 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.501 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 15.8 tt0 -112.38 -79.61 0.58 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.337 -0.852 . . . . 0.0 110.038 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.584 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 50.6 t0 -144.63 66.21 1.27 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.29 -0.881 . . . . 0.0 109.963 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.716 ' O ' HD11 ' A' ' 38' ' ' ILE . 35.9 mtpt -56.53 -14.17 2.92 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.258 -0.901 . . . . 0.0 110.904 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 96.8 mttt -41.79 -26.45 0.08 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.122 -0.986 . . . . 0.0 110.429 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 18.0 m-85 -55.55 -16.69 4.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.212 -0.93 . . . . 0.0 110.321 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.909 ' CE1' HD11 ' A' ' 35' ' ' ILE . 6.1 t80 -41.89 -26.49 0.09 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.151 -0.968 . . . . 0.0 110.365 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' PHE . 23.1 pt20 -66.63 -5.41 11.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.35 -0.844 . . . . 0.0 110.716 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.9 p -132.43 153.95 50.33 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.057 -1.027 . . . . 0.0 110.042 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tt -52.1 -50.44 61.63 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.16 -0.962 . . . . 0.0 110.096 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -53.86 -37.29 63.52 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.365 -0.835 . . . . 0.0 109.11 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.465 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -70.8 -49.97 26.64 Favored Glycine 0 N--CA 1.484 1.875 0 N-CA-C 108.253 -1.939 . . . . 0.0 108.253 179.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.909 HD11 ' CE1' ' A' ' 29' ' ' PHE . 1.6 mm -55.24 -32.98 29.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.313 -1.11 . . . . 0.0 109.233 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.468 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 30.6 mmm -78.21 -64.16 1.23 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.867 . . . . 0.0 110.079 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.98 -49.57 15.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.093 -1.004 . . . . 0.0 109.157 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.716 HD11 ' O ' ' A' ' 26' ' ' LYS . 6.6 mt -51.28 -38.66 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.082 -1.011 . . . . 0.0 109.533 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 72.7 m-20 -70.26 -34.52 72.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.364 -0.835 . . . . 0.0 109.856 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.523 ' HA ' ' HB ' ' A' ' 43' ' ' THR . 31.9 mtpt -82.07 -20.01 39.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.487 -0.758 . . . . 0.0 110.141 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.534 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 2.7 t -48.53 -64.75 0.71 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.241 -0.912 . . . . 0.0 110.022 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.46 -32.37 73.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 0.0 110.098 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.529 ' O ' ' CG ' ' A' ' 46' ' ' MET . 29.3 m -65.9 -58.4 5.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.263 -0.898 . . . . 0.0 110.163 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.471 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 74.0 m -55.6 -34.65 65.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.128 -0.982 . . . . 0.0 110.147 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.807 ' HA ' HD23 ' A' ' 20' ' ' LEU . 30.4 tttt -58.51 -51.19 70.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.294 -0.879 . . . . 0.0 110.587 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.546 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -59.16 -23.7 62.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.149 -0.969 . . . . 0.0 110.365 -179.704 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.546 ' N ' ' HG3' ' A' ' 46' ' ' MET . 24.6 mm -60.03 -36.19 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.259 -0.901 . . . . 0.0 109.827 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.746 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -77.36 -39.67 46.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.343 -0.848 . . . . 0.0 109.971 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.467 ' OE2' ' HE2' ' A' ' 45' ' ' LYS . 84.1 mt-10 -58.34 -25.38 61.87 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.418 -0.801 . . . . 0.0 110.14 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -72.85 -37.42 67.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.239 -0.913 . . . . 0.0 110.13 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -65.38 -29.76 70.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.3 -0.875 . . . . 0.0 110.103 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 53' ' ' LYS . . . -79.96 -22.53 42.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.33 -0.856 . . . . 0.0 110.128 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' ALA . 51.1 mtmt 42.48 47.29 4.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.284 -0.885 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.1 p -72.47 -19.18 61.6 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.272 -0.892 . . . . 0.0 110.171 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.195 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.297 0.57 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -82.56 160.31 22.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.225 -0.922 . . . . 0.0 110.229 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -67.35 -25.14 65.85 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.248 -0.908 . . . . 0.0 110.2 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -73.6 -18.22 61.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.263 -0.898 . . . . 0.0 110.136 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' A' ' 6' ' ' GLU . 38.9 tt0 -76.68 90.86 3.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.273 -0.892 . . . . 0.0 110.181 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 38.5 mt-10 62.4 40.07 11.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.205 -0.934 . . . . 0.0 110.149 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' GLU . 29.4 ttm -42.78 -31.73 0.52 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.171 -0.956 . . . . 0.0 110.179 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 98.2 m -85.75 129.31 34.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.237 -0.915 . . . . 0.0 110.21 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -135.8 -39.39 0.71 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.253 -0.905 . . . . 0.0 110.298 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.467 ' OE1' ' HB2' ' A' ' 37' ' ' PHE . 12.3 pt-20 -93.14 -31.22 14.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.183 -0.948 . . . . 0.0 110.308 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.609 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 83.9 m-85 -75.72 -22.79 56.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.219 -0.926 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' A' ' 15' ' ' MET . 60.3 tt0 -45.51 -47.25 14.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.154 -0.966 . . . . 0.0 109.648 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.6 -18.83 22.04 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.307 -0.871 . . . . 0.0 109.772 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.618 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 5.7 m-30 -92.14 13.54 18.68 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.293 -0.879 . . . . 0.0 110.504 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.543 ' CG ' ' O ' ' A' ' 15' ' ' MET . 19.8 ptm -97.65 117.51 32.09 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.037 -1.039 . . . . 0.0 110.72 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 8.8 tttt -97.45 87.88 4.24 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.253 -0.904 . . . . 0.0 109.833 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 77.2 m-20 59.87 51.59 5.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.527 -0.733 . . . . 0.0 110.714 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.4 -15.84 60.35 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.501 ' C ' ' CD ' ' A' ' 19' ' ' LYS . 2.2 tmtm? -98.02 113.72 25.66 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.957 -1.319 . . . . 0.0 110.515 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.761 HD23 ' N ' ' A' ' 21' ' ' PHE . 2.2 tt -96.04 124.34 40.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.111 -0.993 . . . . 0.0 110.156 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.761 ' N ' HD23 ' A' ' 20' ' ' LEU . 3.8 p90 -103.48 73.58 1.21 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.148 -0.97 . . . . 0.0 109.959 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.607 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -47.28 -49.72 51.45 Favored Pre-proline 0 N--CA 1.493 1.703 0 O-C-N 121.51 -0.744 . . . . 0.0 111.46 -179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.4 Cg_exo -61.56 82.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.272 1.143 . . . . 0.0 110.822 -179.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.494 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 11.4 tt0 -126.02 -78.35 0.59 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.465 -0.772 . . . . 0.0 109.77 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.573 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 3.5 t70 -133.32 77.81 1.75 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.456 -0.777 . . . . 0.0 109.971 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 39.3 mttt -68.84 -2.21 9.0 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.357 -0.839 . . . . 0.0 110.851 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' LYS . 70.8 mmtt -41.79 -27.23 0.1 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.149 -0.969 . . . . 0.0 110.291 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 25.2 m-85 -50.15 -21.27 1.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.202 -0.936 . . . . 0.0 110.138 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.833 ' HB2' HD11 ' A' ' 38' ' ' ILE . 6.4 t80 -56.49 -16.46 5.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.277 -0.889 . . . . 0.0 110.11 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -66.15 -6.9 14.9 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.253 -0.904 . . . . 0.0 110.865 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.481 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 11.0 p -147.49 165.63 29.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.035 -1.04 . . . . 0.0 110.682 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' HA ' ' HB ' ' A' ' 35' ' ' ILE . 3.3 tt -66.31 -55.15 17.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.349 -0.844 . . . . 0.0 110.068 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -56.03 -41.94 75.74 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.34 -0.85 . . . . 0.0 109.053 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.537 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.87 -32.75 60.71 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 108.255 -1.938 . . . . 0.0 108.255 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.621 HD11 ' CG ' ' A' ' 29' ' ' PHE . 1.4 mm -66.25 -36.97 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.537 -0.979 . . . . 0.0 109.52 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' PHE . 64.1 mmm -48.15 -50.99 26.85 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.308 -0.87 . . . . 0.0 110.189 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.22 -48.17 12.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.113 -0.992 . . . . 0.0 109.426 -179.826 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.833 HD11 ' HB2' ' A' ' 29' ' ' PHE . 18.3 mt -52.04 -42.92 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.934 -1.104 . . . . 0.0 109.714 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -66.49 -27.49 67.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.463 -0.773 . . . . 0.0 109.975 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 44' ' ' CYS . 40.9 ttmt -96.28 -21.32 17.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.315 -0.866 . . . . 0.0 110.215 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 37' ' ' PHE . 6.1 t -53.86 -75.61 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.174 -0.954 . . . . 0.0 110.086 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.523 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -57.63 -30.52 65.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.403 -0.811 . . . . 0.0 110.305 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.444 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 95.3 m -79.04 -17.64 54.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.218 -0.927 . . . . 0.0 110.133 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 40' ' ' LYS . 10.6 t -92.37 -52.76 4.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.261 -0.899 . . . . 0.0 110.076 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.597 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -51.92 -24.64 6.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.144 -0.972 . . . . 0.0 109.761 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.542 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -78.32 -25.02 46.38 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.401 -0.812 . . . . 0.0 109.656 179.734 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.542 ' N ' ' HG3' ' A' ' 46' ' ' MET . 23.2 mm -63.85 -34.2 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.305 -0.872 . . . . 0.0 109.189 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.741 HD11 HD12 ' A' ' 20' ' ' LEU . 1.3 mt -68.89 -39.02 80.01 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.438 -0.789 . . . . 0.0 109.448 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -45.72 -25.38 0.48 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.323 -0.861 . . . . 0.0 109.453 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 55' ' ' GLN . 29.7 mmtt -76.31 -32.53 58.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.464 -0.772 . . . . 0.0 109.96 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' LEU . 70.6 tt0 -61.59 -27.08 68.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.174 -0.953 . . . . 0.0 110.224 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.98 164.28 23.6 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.305 -0.872 . . . . 0.0 110.195 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -85.87 -8.76 57.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.191 -0.943 . . . . 0.0 110.223 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.0 p -70.24 -18.04 63.14 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.212 -0.93 . . . . 0.0 110.185 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 40.0 tt0 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.114 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 85.0 tttt . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.242 0.544 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.401 ' ND2' ' HB2' ' A' ' 4' ' ' ASP . 43.7 p30 -158.79 -178.24 7.11 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.157 -0.964 . . . . 0.0 110.266 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 7' ' ' MET . 36.3 mp0 -75.88 -0.54 21.66 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.256 -0.903 . . . . 0.0 110.279 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.401 ' HB2' ' ND2' ' A' ' 2' ' ' ASN . 67.8 m-20 -73.51 -1.47 18.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.225 -0.922 . . . . 0.0 110.153 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -122.36 -31.83 3.74 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.776 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' MET . 86.3 mt-10 -129.03 50.34 2.15 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.41 -0.806 . . . . 0.0 109.828 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 3' ' ' GLU . 76.8 mtm -41.85 -36.09 0.97 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.329 -0.857 . . . . 0.0 110.362 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.0 t -94.01 116.03 28.43 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.221 -0.924 . . . . 0.0 110.267 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -109.2 -12.09 14.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.167 -0.958 . . . . 0.0 110.128 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -72.81 -45.03 60.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.212 -0.93 . . . . 0.0 110.219 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.595 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 45.1 m-85 -83.38 -16.43 46.01 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.255 -0.903 . . . . 0.0 110.371 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 15' ' ' MET . 12.7 tt0 -47.73 -38.21 14.88 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.036 -1.04 . . . . 0.0 109.345 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.28 -19.82 64.92 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.34 -0.85 . . . . 0.0 109.589 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.644 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 11.2 m-30 -89.22 15.38 9.02 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.286 -0.884 . . . . 0.0 110.364 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.56 ' CG ' ' O ' ' A' ' 15' ' ' MET . 13.7 ptt? -98.99 112.1 24.31 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.072 -1.017 . . . . 0.0 110.579 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 8.8 tttt -91.85 90.43 7.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.165 -0.959 . . . . 0.0 109.866 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 78.3 m-20 57.98 52.67 7.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.328 -0.857 . . . . 0.0 110.349 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.51 -13.45 58.15 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.438 ' HD3' ' C ' ' A' ' 19' ' ' LYS . 3.4 tmtm? -95.63 106.54 18.65 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.095 -1.238 . . . . 0.0 110.388 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.3 tt -85.72 115.49 23.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.249 -0.907 . . . . 0.0 110.194 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.644 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 24.5 p90 -101.73 64.16 0.97 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.072 -1.017 . . . . 0.0 109.885 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.6 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -50.07 -47.11 82.09 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.336 -0.852 . . . . 0.0 111.401 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -65.19 84.27 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.363 0 O-C-N 123.186 1.098 . . . . 0.0 111.067 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.528 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 1.0 OUTLIER -126.82 -26.32 3.22 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.208 -0.932 . . . . 0.0 110.266 179.575 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.574 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 66.7 t0 -179.97 55.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.876 . . . . 0.0 109.639 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' O ' HD11 ' A' ' 38' ' ' ILE . 41.6 mttt -56.39 -13.51 2.29 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.333 -0.854 . . . . 0.0 110.926 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 99.6 mttt -42.15 -26.22 0.09 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.087 -1.008 . . . . 0.0 110.223 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 13.3 m-85 -48.53 -21.8 0.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.255 -0.903 . . . . 0.0 110.271 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.748 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 7.5 t80 -40.51 -26.31 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.297 -0.877 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' PHE . 18.4 pt20 -67.78 -4.55 12.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.096 -1.003 . . . . 0.0 110.694 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.4 t -133.09 148.47 52.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.008 -1.058 . . . . 0.0 110.342 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.9 tp -46.34 -52.13 13.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.268 -0.895 . . . . 0.0 110.105 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -52.19 -36.81 53.0 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.324 -0.86 . . . . 0.0 108.777 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.475 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -71.92 -51.2 15.54 Favored Glycine 0 N--CA 1.484 1.892 0 N-CA-C 108.078 -2.009 . . . . 0.0 108.078 178.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.748 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 1.6 mm -54.86 -32.15 25.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.243 -1.151 . . . . 0.0 108.915 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.457 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 19.3 mmm -78.98 -65.68 0.96 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.346 -0.846 . . . . 0.0 110.266 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.62 -47.42 14.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.074 -1.016 . . . . 0.0 109.18 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.634 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 6.2 mt -52.81 -39.74 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.948 -1.095 . . . . 0.0 109.417 178.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 89.6 m-20 -65.4 -41.02 94.08 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.406 -0.809 . . . . 0.0 109.624 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 52.8 mttt -83.86 -13.79 52.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.527 -0.733 . . . . 0.0 109.495 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.545 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 44.4 t -58.51 -67.42 0.36 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.369 -0.832 . . . . 0.0 110.171 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.84 -30.95 71.99 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.414 -0.804 . . . . 0.0 110.339 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.531 ' O ' ' CG ' ' A' ' 46' ' ' MET . 99.3 m -74.28 -46.16 43.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.243 -0.911 . . . . 0.0 110.033 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 40' ' ' LYS . 59.2 m -62.43 -24.07 67.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.21 -0.931 . . . . 0.0 109.776 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.496 ' HA ' HD13 ' A' ' 20' ' ' LEU . 23.2 tttt -69.13 -44.27 72.7 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -0.869 . . . . 0.0 110.14 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.531 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -63.12 -23.1 67.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.915 . . . . 0.0 110.095 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.531 ' N ' ' HG3' ' A' ' 46' ' ' MET . 19.3 mm -59.18 -41.48 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.341 -0.85 . . . . 0.0 109.788 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.692 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? -71.71 -39.13 70.36 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.344 -0.848 . . . . 0.0 109.883 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -60.71 -25.14 66.2 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.306 -0.871 . . . . 0.0 110.244 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -75.1 -39.55 60.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.285 -0.884 . . . . 0.0 110.301 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.16 -25.1 45.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.214 -0.929 . . . . 0.0 110.213 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.32 -24.71 46.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.275 -0.891 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 45.06 52.28 8.45 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.268 -0.895 . . . . 0.0 110.171 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 11.9 t -101.32 97.22 7.74 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.303 -0.873 . . . . 0.0 110.142 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 54' ' ' SER . 80.3 mt-30 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.203 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 94.9 mttt . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.253 0.549 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -69.32 133.1 47.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.248 -0.907 . . . . 0.0 110.239 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -71.48 -24.52 62.0 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.229 -0.92 . . . . 0.0 110.258 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 6' ' ' GLU . 81.7 m-20 -84.06 -32.82 24.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.223 -0.923 . . . . 0.0 110.319 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 7' ' ' MET . 91.2 mt-30 57.84 -85.01 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.395 -0.815 . . . . 0.0 109.573 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 4' ' ' ASP . 97.8 mt-10 -68.53 60.7 0.09 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.279 -0.888 . . . . 0.0 109.124 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 5' ' ' GLN . 27.6 mtp -39.56 -30.55 0.07 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.547 -0.721 . . . . 0.0 110.575 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' GLU . 27.5 m -100.44 131.27 46.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.298 -0.876 . . . . 0.0 110.364 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -132.14 -44.86 0.94 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.269 -0.894 . . . . 0.0 110.207 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -80.32 -45.97 16.92 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.278 -0.889 . . . . 0.0 110.331 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.682 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 66.1 m-85 -66.1 -21.05 66.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.171 -0.955 . . . . 0.0 110.322 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.479 ' O ' ' CG ' ' A' ' 15' ' ' MET . 40.3 tt0 -46.33 -47.74 18.44 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.08 -1.013 . . . . 0.0 109.302 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.5 -18.22 17.64 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.298 -0.876 . . . . 0.0 109.661 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.65 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 9.2 m-30 -89.82 16.37 8.19 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.278 -0.889 . . . . 0.0 110.397 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.537 ' CG ' ' O ' ' A' ' 15' ' ' MET . 7.0 ptt? -101.27 115.06 29.63 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.197 -0.94 . . . . 0.0 110.387 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' LYS . 81.3 tttt -93.8 80.69 4.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 110.149 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER 64.76 57.33 1.06 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.271 -0.893 . . . . 0.0 110.414 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.73 -11.0 60.63 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.696 -1.361 . . . . 0.0 109.696 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' LYS . 7.4 tmtm? -96.5 113.32 24.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.237 -1.155 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.592 HD12 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -92.54 104.23 16.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.173 -0.955 . . . . 0.0 110.223 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.65 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 12.8 p90 -94.42 64.35 3.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.074 -1.016 . . . . 0.0 109.931 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.608 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -50.34 -47.25 83.46 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.416 -0.802 . . . . 0.0 111.538 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.608 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -61.58 82.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.315 -1.234 0 O-C-N 123.089 1.047 . . . . 0.0 110.705 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.517 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 20.3 tt0 -120.77 -86.13 0.65 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.43 -0.794 . . . . 0.0 109.845 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.586 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 9.3 t0 -127.6 76.34 1.67 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.338 -0.851 . . . . 0.0 109.952 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.607 ' O ' HD11 ' A' ' 38' ' ' ILE . 53.1 mttt -65.39 -5.21 6.95 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.182 -0.949 . . . . 0.0 110.893 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LYS . 62.7 mmtt -41.94 -26.51 0.09 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.114 -0.991 . . . . 0.0 110.4 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 42.6 m-85 -52.05 -19.64 2.0 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.118 -0.989 . . . . 0.0 110.027 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.593 ' CE1' HD11 ' A' ' 35' ' ' ILE . 7.7 t80 -49.39 -20.64 0.72 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.319 -0.863 . . . . 0.0 110.494 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -69.88 -2.31 11.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.17 -0.956 . . . . 0.0 110.717 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.0 m -136.31 158.17 45.06 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.051 -1.03 . . . . 0.0 110.377 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.39 -47.99 83.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.908 . . . . 0.0 110.005 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -56.68 -39.93 74.67 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.405 -0.809 . . . . 0.0 109.181 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.45 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.45 -46.23 56.77 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 108.253 -1.939 . . . . 0.0 108.253 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.593 HD11 ' CE1' ' A' ' 29' ' ' PHE . 3.6 mm -55.65 -36.72 43.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.354 -1.086 . . . . 0.0 109.113 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.463 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 7.0 mtt -70.18 -65.34 0.74 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.292 -0.88 . . . . 0.0 109.871 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.682 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -46.77 -52.03 14.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.181 -0.949 . . . . 0.0 108.841 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.607 HD11 ' O ' ' A' ' 26' ' ' LYS . 11.4 mt -48.78 -38.75 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.168 -0.958 . . . . 0.0 109.333 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 88.3 m-20 -69.7 -34.55 74.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.351 -0.843 . . . . 0.0 109.123 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -81.08 -15.07 57.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.591 -0.693 . . . . 0.0 109.47 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 11.3 t -63.05 -69.73 0.25 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.449 -0.782 . . . . 0.0 109.764 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.2 -30.45 17.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.565 -0.709 . . . . 0.0 110.036 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.545 ' O ' ' CG ' ' A' ' 46' ' ' MET . 87.1 m -78.62 -53.79 6.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.266 -0.896 . . . . 0.0 109.619 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.471 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 42.0 t -46.1 -33.9 3.82 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.244 -0.91 . . . . 0.0 109.524 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -60.74 -47.58 85.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.35 -0.844 . . . . 0.0 110.222 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.2 OUTLIER -61.24 -21.64 64.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.171 -0.955 . . . . 0.0 109.775 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.527 ' N ' ' HG3' ' A' ' 46' ' ' MET . 27.5 mm -69.4 -32.93 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.449 -0.782 . . . . 0.0 109.492 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.592 HD23 HD12 ' A' ' 20' ' ' LEU . 3.9 mm? -74.51 -42.11 59.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.416 -0.802 . . . . 0.0 109.963 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.544 ' HG2' ' HA ' ' A' ' 46' ' ' MET . 24.0 pt-20 -72.29 -27.73 62.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 0.0 110.12 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -57.14 -40.97 78.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.305 -0.872 . . . . 0.0 110.189 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.99 -24.34 66.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.265 -0.897 . . . . 0.0 110.245 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.35 158.47 30.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.209 -0.932 . . . . 0.0 110.271 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -56.6 -24.35 47.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.251 -0.905 . . . . 0.0 110.24 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.8 m 45.22 43.72 8.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.265 -0.897 . . . . 0.0 110.234 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.282 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 2' ' ' ASN . 47.2 tptt . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.242 0.544 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 1' ' ' LYS . 89.8 m-20 43.0 66.14 0.83 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.274 -0.891 . . . . 0.0 110.281 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -80.13 -11.0 59.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.221 -0.925 . . . . 0.0 110.268 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' A' ' 5' ' ' GLN . 81.4 m-20 -83.98 -26.22 29.38 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.24 -0.912 . . . . 0.0 110.14 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.527 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 3.8 tt0 75.44 -47.58 0.6 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.503 -0.748 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 5' ' ' GLN . 73.8 mt-10 -38.79 -30.05 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.44 -0.788 . . . . 0.0 110.202 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 5' ' ' GLN . 29.3 mtt 51.53 39.22 24.26 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.391 -0.818 . . . . 0.0 110.466 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.9 t -45.29 -78.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.218 -0.926 . . . . 0.0 110.108 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 56.5 m80 47.93 24.67 0.63 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.337 -0.852 . . . . 0.0 110.151 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -87.49 -24.29 24.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.273 -0.892 . . . . 0.0 110.143 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 11.5 m-85 -98.3 -2.62 39.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.236 -0.915 . . . . 0.0 110.229 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 15' ' ' MET . 50.6 tt0 -44.62 -43.61 8.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.096 -1.003 . . . . 0.0 109.848 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.31 -24.39 28.46 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.303 -0.873 . . . . 0.0 109.666 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.641 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 6.0 m-85 -91.26 17.0 8.86 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.394 -0.816 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.544 ' HA ' ' O ' ' A' ' 19' ' ' LYS . 20.8 ptm -94.79 131.05 41.06 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.062 -1.024 . . . . 0.0 110.372 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' LYS . 55.1 tttp -105.31 77.64 1.31 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.208 -0.932 . . . . 0.0 110.28 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 10.9 t-20 68.24 56.16 0.51 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.246 -0.909 . . . . 0.0 110.543 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.36 -28.65 7.94 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 15' ' ' MET . 1.3 tmtp? -87.02 151.38 23.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -1.149 . . . . 0.0 109.62 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.514 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 20.3 tp -124.83 118.64 26.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.234 -0.916 . . . . 0.0 110.299 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.641 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 7.0 p90 -97.58 67.64 2.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.189 -0.944 . . . . 0.0 109.846 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.62 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -47.93 -48.89 61.23 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.438 -0.789 . . . . 0.0 111.399 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.5 Cg_exo -61.12 82.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.314 -1.244 0 O-C-N 123.254 1.134 . . . . 0.0 110.738 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.534 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 10.6 tt0 -113.45 -78.31 0.58 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.476 -0.765 . . . . 0.0 109.755 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 36.7 m-20 -135.14 61.63 1.66 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.421 -0.799 . . . . 0.0 109.683 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.704 ' O ' HD11 ' A' ' 38' ' ' ILE . 62.0 mttt -53.5 -16.32 1.44 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.0 110.879 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' LYS . 80.4 mttt -41.69 -26.81 0.08 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.051 -1.031 . . . . 0.0 110.157 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 24.9 m-85 -51.0 -20.23 1.29 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.263 -0.898 . . . . 0.0 110.206 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CE1' HD11 ' A' ' 35' ' ' ILE . 13.7 t80 -44.22 -25.21 0.21 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.128 -0.982 . . . . 0.0 110.248 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' PHE . 15.8 mt-30 -69.1 -3.33 12.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.261 -0.899 . . . . 0.0 110.615 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.7 t -134.71 157.22 47.25 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.085 -1.009 . . . . 0.0 110.281 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.641 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.8 tm? -56.53 -47.96 78.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.28 -0.888 . . . . 0.0 109.956 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -54.43 -39.28 67.2 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.369 -0.832 . . . . 0.0 108.888 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.474 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.73 -51.18 26.24 Favored Glycine 0 N--CA 1.484 1.873 0 N-CA-C 108.131 -1.988 . . . . 0.0 108.131 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.601 HD11 ' CE1' ' A' ' 29' ' ' PHE . 6.2 mm -53.49 -32.21 20.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 121.438 -1.037 . . . . 0.0 109.11 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.433 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -75.35 -66.09 0.81 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.297 -0.877 . . . . 0.0 109.98 179.496 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.637 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -50.08 -47.81 53.45 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.285 -0.884 . . . . 0.0 109.117 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 26' ' ' LYS . 7.5 mt -53.54 -36.48 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.908 -1.12 . . . . 0.0 108.966 178.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 36' ' ' MET . 2.6 m120 -74.65 -28.96 61.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.529 -0.732 . . . . 0.0 109.532 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 44' ' ' CYS . 17.0 mttt -88.01 -25.78 22.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.355 -0.841 . . . . 0.0 109.784 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.55 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 2.5 t -42.61 -73.46 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.21 -0.931 . . . . 0.0 110.18 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.06 75.12 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.662 -0.649 . . . . 0.0 110.779 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.52 ' HB ' ' HA ' ' A' ' 40' ' ' LYS . 78.2 m -71.47 -22.5 61.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.245 -0.909 . . . . 0.0 110.296 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.549 ' N ' ' O ' ' A' ' 40' ' ' LYS . 5.2 t -89.04 -49.99 6.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.27 -0.894 . . . . 0.0 109.542 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.713 ' HA ' HD12 ' A' ' 48' ' ' LEU . 10.1 tttt -46.91 -43.48 18.97 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.36 -0.837 . . . . 0.0 109.167 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.555 ' SD ' HD13 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -61.41 -29.07 69.7 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.357 -0.839 . . . . 0.0 109.836 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.555 HD13 ' SD ' ' A' ' 46' ' ' MET . 26.6 mm -61.21 -37.2 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.3 -0.875 . . . . 0.0 109.583 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 45' ' ' LYS . 1.6 mt -67.51 -33.95 76.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.468 -0.77 . . . . 0.0 109.91 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -55.75 -18.39 8.22 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.194 -0.941 . . . . 0.0 109.794 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -90.53 -27.27 19.28 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.41 -0.806 . . . . 0.0 110.036 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.02 -27.14 65.4 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.352 -0.843 . . . . 0.0 110.23 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.91 151.95 29.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.238 -0.914 . . . . 0.0 110.158 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -68.09 -7.96 34.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.239 -0.913 . . . . 0.0 110.215 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.1 p -72.58 -7.48 50.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.229 -0.919 . . . . 0.0 110.197 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.239 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.256 0.55 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -90.05 139.86 30.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.199 -0.938 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.524 ' O ' ' CG ' ' A' ' 7' ' ' MET . 88.1 tt0 -77.31 -15.65 59.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.303 -0.873 . . . . 0.0 110.08 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -79.13 4.87 13.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.256 -0.903 . . . . 0.0 110.148 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -116.17 -26.62 7.16 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 0.0 109.659 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 7' ' ' MET . 89.0 mt-10 -141.72 44.67 1.71 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.481 -0.762 . . . . 0.0 109.686 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.524 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 85.7 mtp -41.11 -31.85 0.22 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.483 -0.761 . . . . 0.0 110.51 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 67.5 m -105.55 113.55 27.19 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.265 -0.897 . . . . 0.0 110.472 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -89.4 -14.65 35.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.275 -0.891 . . . . 0.0 110.028 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -86.1 -39.09 17.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.343 -0.848 . . . . 0.0 110.135 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.604 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 57.9 m-85 -83.18 -27.0 30.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.18 -0.95 . . . . 0.0 110.03 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.465 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 17.2 tt0 -46.24 -43.72 15.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.142 -0.974 . . . . 0.0 109.489 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.26 -18.47 61.31 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.305 -0.872 . . . . 0.0 109.77 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.643 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 14.2 m-30 -89.32 16.52 7.3 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.153 -0.967 . . . . 0.0 110.33 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 15' ' ' MET . 16.5 ptm -103.02 116.48 32.6 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.153 -0.967 . . . . 0.0 110.41 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 19' ' ' LYS . 11.6 tttt -93.38 87.47 5.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.028 -1.045 . . . . 0.0 110.03 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 77.6 m-20 58.3 52.97 6.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.338 -0.851 . . . . 0.0 110.383 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.67 -14.76 62.08 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . 6.5 tmtm? -93.61 105.15 17.22 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.082 -1.246 . . . . 0.0 110.436 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' A' ' 45' ' ' LYS . 20.5 tp -86.36 111.0 20.07 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.186 -0.946 . . . . 0.0 110.097 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.643 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 7.9 p90 -99.07 69.44 1.74 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.062 -1.024 . . . . 0.0 110.153 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.623 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -49.55 -48.07 76.73 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.483 -0.761 . . . . 0.0 111.291 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.01 73.79 0.1 OUTLIER 'Trans proline' 0 C--N 1.315 -1.225 0 O-C-N 123.228 1.12 . . . . 0.0 110.883 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' CYS . 6.5 tt0 -109.55 -42.87 4.2 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.428 -0.795 . . . . 0.0 109.403 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.575 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 53.2 t0 -171.81 61.0 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.635 -0.665 . . . . 0.0 109.456 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HA ' HD11 ' A' ' 38' ' ' ILE . 83.9 mttt -55.22 -15.17 2.12 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.421 -0.8 . . . . 0.0 110.871 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 94.6 mttt -41.16 -27.58 0.07 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.309 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 14.7 m-85 -50.32 -26.86 5.3 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.247 -0.908 . . . . 0.0 109.923 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.716 ' CE1' HD13 ' A' ' 35' ' ' ILE . 50.9 t80 -42.98 -25.46 0.1 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.351 -0.843 . . . . 0.0 110.601 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 28' ' ' PHE . 47.7 mt-30 -65.67 -7.2 14.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.322 -0.861 . . . . 0.0 110.628 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.2 m -128.77 166.43 19.03 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.117 -0.989 . . . . 0.0 110.162 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.68 -54.64 42.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.253 -0.904 . . . . 0.0 110.173 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -52.85 -36.6 59.08 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.299 -0.876 . . . . 0.0 108.885 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.498 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -72.76 -45.72 33.49 Favored Glycine 0 N--CA 1.485 1.902 0 N-CA-C 108.135 -1.986 . . . . 0.0 108.135 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.716 HD13 ' CE1' ' A' ' 29' ' ' PHE . 2.0 mm -55.21 -34.54 33.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 121.222 -1.163 . . . . 0.0 108.981 179.023 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.453 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 5.6 mtp -75.84 -64.75 1.02 Allowed 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.176 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.639 ' CE1' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -46.45 -48.87 18.87 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.262 -0.899 . . . . 0.0 109.107 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.639 ' CD1' ' CE1' ' A' ' 37' ' ' PHE . 24.5 mm -49.21 -41.22 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.896 -1.128 . . . . 0.0 109.198 178.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 96.5 m-20 -68.71 -34.0 74.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.442 -0.786 . . . . 0.0 110.002 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 38.3 mttt -85.01 -25.69 27.54 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.329 -0.857 . . . . 0.0 110.017 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.537 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 6.7 t -47.04 -72.25 0.06 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -0.915 . . . . 0.0 109.963 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -55.92 -33.59 64.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.467 -0.771 . . . . 0.0 110.338 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.532 ' O ' ' CG ' ' A' ' 46' ' ' MET . 28.9 m -67.68 -58.2 5.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 110.112 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 65.8 m -48.78 -33.46 10.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.123 -0.986 . . . . 0.0 109.92 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.446 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 19.4 tttp -60.55 -47.47 86.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.306 -0.871 . . . . 0.0 110.109 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -63.78 -23.39 67.34 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.239 -0.913 . . . . 0.0 110.029 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.554 ' N ' ' HG3' ' A' ' 46' ' ' MET . 26.6 mm -63.35 -41.89 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.386 -0.821 . . . . 0.0 109.6 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.66 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -66.94 -39.91 87.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.394 -0.816 . . . . 0.0 109.536 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -56.7 -26.38 56.57 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.361 -0.837 . . . . 0.0 110.087 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 46' ' ' MET . 83.7 mttt -64.66 -39.05 93.01 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.241 -0.912 . . . . 0.0 110.204 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -57.4 -26.5 61.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.278 -0.888 . . . . 0.0 110.201 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.39 -19.98 52.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.209 -0.932 . . . . 0.0 110.238 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -86.16 -24.83 26.02 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.25 -0.906 . . . . 0.0 110.176 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.0 m -79.27 -16.59 56.2 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.288 -0.883 . . . . 0.0 110.266 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 27.8 pt20 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.18 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.432 ' HE3' ' CD ' ' A' ' 51' ' ' GLU . 21.3 tptm . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.174 0.511 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -102.34 114.37 28.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.293 -0.879 . . . . 0.0 110.196 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -65.86 -8.51 22.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.279 -0.888 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -110.02 55.97 0.63 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.322 -0.861 . . . . 0.0 110.273 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.498 ' HG3' ' HG3' ' A' ' 7' ' ' MET . 3.8 pt20 -114.77 64.77 0.67 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 110.123 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 26.7 mt-10 61.41 26.51 16.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.285 -0.884 . . . . 0.0 110.133 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.498 ' HG3' ' HG3' ' A' ' 5' ' ' GLN . 67.6 mtp -75.55 140.18 42.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.275 -0.891 . . . . 0.0 110.107 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 27.8 p -92.23 -28.3 17.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.884 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.483 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 77.0 m-70 54.29 26.14 6.57 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.242 -0.911 . . . . 0.0 110.219 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 8' ' ' CYS . 76.9 mt-10 -106.31 -24.14 12.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.216 -0.927 . . . . 0.0 110.207 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.593 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 40.8 m-85 -100.56 -3.65 30.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 0.0 110.259 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.474 ' HG3' ' SD ' ' A' ' 15' ' ' MET . 56.6 tt0 -46.49 -42.31 15.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.161 -0.962 . . . . 0.0 110.044 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.54 -14.39 12.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.353 -0.842 . . . . 0.0 110.053 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.593 ' CD2' ' HA ' ' A' ' 11' ' ' PHE . 20.9 m-85 -96.44 19.9 11.41 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.253 -0.904 . . . . 0.0 110.546 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.474 ' SD ' ' HG3' ' A' ' 12' ' ' GLN . 94.3 mtp -94.39 96.07 9.28 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.193 -0.942 . . . . 0.0 110.15 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 74.0 tttt -79.93 97.46 6.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.426 -0.796 . . . . 0.0 110.223 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 15.1 t-20 61.05 59.0 2.12 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.251 -0.906 . . . . 0.0 110.139 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.1 18.91 63.15 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.506 -1.437 . . . . 0.0 109.506 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.2 tmtp? -126.92 114.08 17.39 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.215 -1.168 . . . . 0.0 110.049 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 21' ' ' PHE . 2.1 tt -83.63 116.23 22.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.244 -0.91 . . . . 0.0 110.469 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.608 ' N ' HD23 ' A' ' 20' ' ' LEU . 10.0 p90 -101.3 74.74 1.58 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.218 -0.926 . . . . 0.0 109.72 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.626 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 5.5 t -56.64 -42.76 97.93 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.351 -0.843 . . . . 0.0 111.684 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 2.8 Cg_endo -65.46 75.75 0.27 Allowed 'Trans proline' 0 C--N 1.316 -1.142 0 O-C-N 122.711 0.848 . . . . 0.0 111.069 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 22' ' ' CYS . 4.8 pt20 -119.98 -113.29 0.33 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.966 -1.084 . . . . 0.0 109.489 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.587 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 8.3 t0 -97.8 68.89 2.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.892 -1.13 . . . . 0.0 109.843 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.587 ' O ' HD11 ' A' ' 38' ' ' ILE . 86.5 mttt -64.6 -5.68 6.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -0.959 . . . . 0.0 110.953 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.456 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 91.4 mttt -41.64 -26.82 0.08 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.138 -0.976 . . . . 0.0 110.316 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 57.1 m-85 -44.78 -24.89 0.24 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.258 -0.901 . . . . 0.0 110.124 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.667 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 9.1 t80 -43.53 -24.0 0.09 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.324 -0.86 . . . . 0.0 110.831 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 28' ' ' PHE . 28.5 pt20 -69.16 -2.67 10.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.114 -0.992 . . . . 0.0 110.802 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.4 t -138.23 152.55 48.71 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.983 -1.073 . . . . 0.0 110.447 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tt -51.34 -47.52 62.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.209 -0.932 . . . . 0.0 110.011 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -54.85 -38.48 67.51 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.282 -0.886 . . . . 0.0 108.99 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.471 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -68.81 -53.42 19.7 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 108.215 -1.954 . . . . 0.0 108.215 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.667 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 3.3 mm -52.33 -30.98 14.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.242 -1.152 . . . . 0.0 108.973 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -75.26 -67.23 0.68 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.45 -0.781 . . . . 0.0 110.123 179.463 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -51.11 -45.69 61.64 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.262 -0.899 . . . . 0.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.634 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 6.5 mt -52.43 -34.52 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.828 -1.17 . . . . 0.0 109.191 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 36' ' ' MET . 3.8 m-20 -77.56 -35.69 52.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.437 -0.789 . . . . 0.0 109.59 179.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -76.5 -19.6 57.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.436 -0.79 . . . . 0.0 109.67 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.494 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -54.33 -66.03 0.47 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.372 -0.83 . . . . 0.0 109.94 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.14 -33.09 67.04 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.372 -0.83 . . . . 0.0 109.807 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.531 ' O ' ' CG ' ' A' ' 46' ' ' MET . 97.5 m -68.3 -55.57 11.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.388 -0.82 . . . . 0.0 110.226 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.405 ' HA ' HG12 ' A' ' 47' ' ' ILE . 85.3 m -62.22 -27.35 68.92 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.146 -0.971 . . . . 0.0 110.332 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -64.2 -50.23 68.89 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.233 -0.917 . . . . 0.0 110.373 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.54 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -59.35 -25.75 64.48 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.139 -0.976 . . . . 0.0 110.036 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.54 ' N ' ' HG3' ' A' ' 46' ' ' MET . 20.6 mm -57.76 -41.64 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.288 -0.883 . . . . 0.0 109.564 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.666 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.1 mm? -67.05 -38.44 85.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.344 -0.847 . . . . 0.0 109.516 179.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -62.76 -25.28 68.13 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.452 -0.78 . . . . 0.0 110.093 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 46' ' ' MET . 59.4 mtpt -65.8 -40.27 91.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.321 -0.862 . . . . 0.0 110.197 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' CD ' ' HE3' ' A' ' 1' ' ' LYS . 93.6 mt-10 -63.09 -25.06 68.19 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.139 -0.976 . . . . 0.0 110.211 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.84 -22.21 58.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.226 -0.921 . . . . 0.0 110.069 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -78.29 -36.37 46.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.253 -0.904 . . . . 0.0 110.198 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.5 m -66.81 -18.43 65.37 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.245 -0.909 . . . . 0.0 110.23 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.208 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 78.0 tttt . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.279 0.562 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.498 ' ND2' ' HB2' ' A' ' 4' ' ' ASP . 48.9 t30 -121.4 127.65 51.39 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.171 -0.955 . . . . 0.0 110.236 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -59.21 -30.93 68.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.268 -0.895 . . . . 0.0 109.992 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.498 ' HB2' ' ND2' ' A' ' 2' ' ' ASN . 85.6 m-20 -67.7 -11.95 59.45 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 109.829 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 2' ' ' ASN . 55.9 mt-30 -94.6 -43.87 8.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.511 -0.743 . . . . 0.0 109.338 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 7' ' ' MET . 72.3 mt-10 -83.9 -11.03 57.52 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.554 -0.717 . . . . 0.0 109.298 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' A' ' 6' ' ' GLU . 47.8 mtt 59.19 -160.7 0.27 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.56 -0.712 . . . . 0.0 110.545 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.2 t -133.76 120.71 20.89 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.397 -0.814 . . . . 0.0 109.984 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.516 ' HA ' ' HB2' ' A' ' 12' ' ' GLN . 86.1 m-70 -114.39 -16.36 11.97 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.273 -0.892 . . . . 0.0 110.441 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.472 ' OE1' ' HD2' ' A' ' 40' ' ' LYS . 79.7 tt0 -58.19 -46.52 85.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.203 -0.936 . . . . 0.0 110.41 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.592 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 27.1 m-85 -88.19 -7.22 57.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.294 -0.879 . . . . 0.0 110.462 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.516 ' HB2' ' HA ' ' A' ' 9' ' ' HIS . 57.8 tt0 -44.18 -47.53 9.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.133 -0.98 . . . . 0.0 110.2 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.75 -17.48 15.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.277 -0.889 . . . . 0.0 110.077 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.629 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 16.9 m-30 -90.25 13.37 15.45 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.363 -0.836 . . . . 0.0 110.511 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.541 ' HA ' ' O ' ' A' ' 19' ' ' LYS . 17.1 ptm -101.48 119.19 38.39 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.912 -1.117 . . . . 0.0 110.708 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 19' ' ' LYS . 48.6 tptt -97.33 84.96 3.55 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.209 -0.932 . . . . 0.0 109.87 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 84.3 m-20 58.85 54.73 4.97 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.459 -0.775 . . . . 0.0 110.673 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.24 -15.15 60.49 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' A' ' 15' ' ' MET . 3.9 tmtm? -94.72 128.52 41.46 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.096 -1.237 . . . . 0.0 110.183 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.526 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 28.0 tp -108.85 116.16 31.46 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.117 -0.99 . . . . 0.0 110.277 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.629 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 29.6 p90 -103.49 69.56 1.0 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.1 -1.0 . . . . 0.0 110.175 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.616 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -55.72 -47.63 98.29 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.429 -0.795 . . . . 0.0 111.573 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.41 83.98 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.22 0 O-C-N 123.224 1.118 . . . . 0.0 111.084 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.505 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 12.6 tt0 -125.97 -78.72 0.59 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.424 -0.797 . . . . 0.0 109.774 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.583 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 13.7 t0 -135.4 76.78 1.64 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.428 -0.795 . . . . 0.0 109.808 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.474 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 51.1 mttt -69.65 -2.52 11.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.277 -0.889 . . . . 0.0 110.799 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' LYS . 58.9 mmtt -42.15 -27.81 0.15 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.186 -0.946 . . . . 0.0 110.132 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.583 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 25.4 m-85 -46.74 -23.52 0.43 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.258 -0.902 . . . . 0.0 110.168 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 13.0 t80 -49.76 -19.49 0.65 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.11 -0.993 . . . . 0.0 110.588 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -63.49 -8.88 10.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.145 -0.972 . . . . 0.0 110.581 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.5 m -141.94 163.21 33.5 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.033 -1.042 . . . . 0.0 110.705 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.55 -55.32 34.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.345 -0.847 . . . . 0.0 110.355 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -52.25 -38.48 58.26 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.318 -0.864 . . . . 0.0 108.794 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.56 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.15 -42.65 50.26 Favored Glycine 0 N--CA 1.483 1.8 0 N-CA-C 108.204 -1.959 . . . . 0.0 108.204 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.514 ' CD1' ' CD2' ' A' ' 29' ' ' PHE . 3.8 mm -56.98 -33.73 42.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.425 -1.044 . . . . 0.0 109.482 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' PHE . 51.6 mmm -60.02 -60.08 4.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.161 -0.962 . . . . 0.0 110.243 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.34 -52.72 5.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.222 -0.924 . . . . 0.0 109.375 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.643 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 8.0 mt -52.33 -37.93 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.886 -1.134 . . . . 0.0 109.769 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 36' ' ' MET . 8.3 m120 -71.86 -26.53 62.4 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.37 -0.831 . . . . 0.0 109.924 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 44' ' ' CYS . 11.7 mttt -97.24 -18.23 19.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 109.778 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.545 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 10.3 t -50.62 -74.57 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.379 -0.826 . . . . 0.0 110.191 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.57 -28.78 69.87 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.465 -0.772 . . . . 0.0 110.269 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' CG ' ' A' ' 46' ' ' MET . 97.4 m -76.56 -17.79 59.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.935 . . . . 0.0 109.928 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.54 ' HA ' HG12 ' A' ' 47' ' ' ILE . 35.9 t -87.67 -45.5 10.33 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.407 -0.808 . . . . 0.0 109.653 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.508 ' HG3' ' N ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -56.59 -25.47 52.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.324 -0.86 . . . . 0.0 109.575 179.548 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.526 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.8 OUTLIER -79.11 -23.59 43.97 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.402 -0.811 . . . . 0.0 109.383 179.63 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.54 HG12 ' HA ' ' A' ' 44' ' ' CYS . 29.0 mm -63.5 -45.44 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.395 -0.816 . . . . 0.0 109.323 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 45' ' ' LYS . 1.1 mt -58.89 -36.79 75.26 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.463 -0.773 . . . . 0.0 109.739 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.47 ' HG3' ' HA ' ' A' ' 46' ' ' MET . 35.5 mm-40 -46.01 -25.5 0.57 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.236 -0.915 . . . . 0.0 109.36 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -79.92 -31.59 40.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.403 -0.811 . . . . 0.0 110.034 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' LEU . 95.0 mt-10 -60.65 -25.6 66.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.24 -0.912 . . . . 0.0 110.225 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.61 -22.71 43.32 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.0 110.23 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -77.89 -32.61 51.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.233 -0.917 . . . . 0.0 110.167 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 m -75.05 -14.35 60.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.285 -0.885 . . . . 0.0 110.245 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.2 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 82.3 tttt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.293 0.568 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -98.89 131.19 45.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.185 -0.947 . . . . 0.0 110.249 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -79.9 -19.59 47.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.299 -0.876 . . . . 0.0 110.26 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 58.0 t0 -119.41 -102.66 0.42 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.205 -0.935 . . . . 0.0 110.196 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 1.1 tt0 176.62 -34.62 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.97 -1.081 . . . . 0.0 110.237 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.484 ' OE2' ' CG2' ' A' ' 43' ' ' THR . 4.9 tt0 -121.44 87.3 2.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.325 -0.86 . . . . 0.0 110.239 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 65.7 mtm -79.51 145.43 33.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.341 -0.849 . . . . 0.0 110.179 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 42.7 t -129.78 106.11 8.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.203 -0.936 . . . . 0.0 110.204 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -92.69 -16.53 25.39 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.182 -0.949 . . . . 0.0 110.197 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -66.51 -46.2 77.02 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.174 -0.954 . . . . 0.0 110.18 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.699 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 65.9 m-85 -93.68 -15.06 25.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.214 -0.929 . . . . 0.0 110.375 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 15' ' ' MET . 24.9 tt0 -44.98 -36.37 3.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.107 -0.996 . . . . 0.0 110.012 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.71 -21.89 66.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.192 -0.943 . . . . 0.0 110.014 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.585 ' CD2' ' HA ' ' A' ' 11' ' ' PHE . 5.9 m-30 -92.14 18.27 8.35 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.247 -0.908 . . . . 0.0 110.351 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.537 ' CG ' ' O ' ' A' ' 15' ' ' MET . 20.9 ptm -96.96 117.1 30.4 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.082 -1.011 . . . . 0.0 110.356 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 11.3 tttt -95.74 92.39 6.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.195 -0.941 . . . . 0.0 109.971 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 78.1 m-20 58.12 51.31 8.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.396 -0.815 . . . . 0.0 110.253 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.24 -14.46 49.94 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -94.58 106.13 18.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.153 -1.204 . . . . 0.0 110.34 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.926 HD23 ' HA ' ' A' ' 45' ' ' LYS . 57.3 tp -91.17 120.78 32.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.171 -0.956 . . . . 0.0 110.261 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.579 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 6.3 p90 -96.18 86.03 4.15 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.227 -0.921 . . . . 0.0 109.778 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 43.1 t -57.51 -41.98 93.4 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.438 -0.789 . . . . 0.0 112.025 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -63.19 72.7 0.13 Allowed 'Trans proline' 0 C--N 1.318 -1.056 0 O-C-N 122.729 0.857 . . . . 0.0 110.767 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.524 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 19.9 tt0 -105.38 -91.18 0.4 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.355 -0.841 . . . . 0.0 109.789 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.593 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 60.1 t0 -138.97 74.91 1.49 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.835 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.731 ' O ' HD11 ' A' ' 38' ' ' ILE . 79.1 mttt -60.44 -8.77 2.93 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.167 -0.958 . . . . 0.0 111.092 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' LYS . 64.7 mmtt -41.05 -27.43 0.06 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.009 -1.057 . . . . 0.0 110.604 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 23.0 m-85 -59.05 -14.41 9.64 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.197 -0.939 . . . . 0.0 110.07 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.616 ' CE1' HD11 ' A' ' 35' ' ' ILE . 12.7 t80 -51.87 -19.89 1.97 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.284 -0.885 . . . . 0.0 110.274 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.53 -0.96 14.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.324 -0.86 . . . . 0.0 110.608 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.1 m -133.99 149.58 51.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.167 -0.958 . . . . 0.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -52.8 -47.86 67.31 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 0.0 110.126 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -57.29 -43.28 83.02 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.316 -0.865 . . . . 0.0 108.953 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.47 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.13 -41.07 82.03 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 108.261 -1.936 . . . . 0.0 108.261 178.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.616 HD11 ' CE1' ' A' ' 29' ' ' PHE . 1.8 mm -57.5 -37.77 59.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.371 -1.076 . . . . 0.0 109.175 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.458 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 10.0 mtp -75.17 -62.53 1.52 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.346 -0.846 . . . . 0.0 110.292 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.699 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -46.95 -50.18 19.38 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.142 -0.973 . . . . 0.0 109.229 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.731 HD11 ' O ' ' A' ' 26' ' ' LYS . 5.9 mt -51.43 -39.21 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.069 -1.02 . . . . 0.0 109.196 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 79.4 m-20 -66.84 -34.82 78.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.345 -0.847 . . . . 0.0 109.283 179.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 44' ' ' CYS . 10.6 mttt -69.94 -37.73 75.96 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.441 -0.787 . . . . 0.0 110.176 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.575 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 3.1 t -41.52 -67.4 0.26 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.262 -0.899 . . . . 0.0 110.347 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.501 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -53.54 -33.36 54.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.235 -0.916 . . . . 0.0 110.318 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.508 ' O ' ' CG ' ' A' ' 46' ' ' MET . 24.2 m -79.99 -23.85 41.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.231 -0.918 . . . . 0.0 110.209 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.519 ' HA ' HG12 ' A' ' 47' ' ' ILE . 72.7 m -86.19 -50.87 6.66 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.294 -0.879 . . . . 0.0 109.969 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.926 ' HA ' HD23 ' A' ' 20' ' ' LEU . 5.5 ptpt -50.75 -26.79 6.04 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.295 -0.878 . . . . 0.0 110.115 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.527 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 1.3 ppp? -79.05 -24.46 43.55 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.227 -0.921 . . . . 0.0 109.949 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.519 HG12 ' HA ' ' A' ' 44' ' ' CYS . 25.2 mm -62.99 -37.48 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.406 -0.809 . . . . 0.0 109.53 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.668 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -68.12 -40.04 82.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.477 -0.765 . . . . 0.0 109.66 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -65.47 -24.29 67.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.301 -0.874 . . . . 0.0 109.972 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 40.2 mttt -66.09 -43.41 87.38 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.0 110.201 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -59.79 -23.78 63.57 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.307 -0.871 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.77 151.69 40.55 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.211 -0.931 . . . . 0.0 110.188 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.52 -8.67 49.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.266 -0.896 . . . . 0.0 110.241 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.4 m -71.9 -20.41 61.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.174 -0.954 . . . . 0.0 110.185 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.218 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 74.3 mttt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.244 0.545 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -85.87 129.52 34.81 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.231 -0.918 . . . . 0.0 110.185 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 93.0 mt-10 -63.15 -25.13 68.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.238 -0.914 . . . . 0.0 110.24 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 80.7 m-20 54.55 59.93 3.84 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.291 -0.88 . . . . 0.0 110.325 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.491 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 27.5 tt0 -124.06 -14.13 7.14 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.248 -0.907 . . . . 0.0 110.069 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 91.7 mt-10 -156.83 33.53 0.3 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.425 -0.797 . . . . 0.0 109.738 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' GLU . 9.1 tpt -41.76 -60.03 1.49 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.443 -0.786 . . . . 0.0 110.337 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 t -76.47 106.76 8.29 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.219 -0.925 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -95.88 -5.09 42.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.286 -0.884 . . . . 0.0 110.263 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -79.72 -49.3 12.28 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.188 -0.945 . . . . 0.0 110.196 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.703 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 64.3 m-85 -84.46 -13.45 52.0 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.219 -0.926 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.49 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 35.3 tt0 -45.46 -44.39 12.26 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.072 -1.017 . . . . 0.0 109.802 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.68 -18.09 18.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.278 -0.889 . . . . 0.0 109.903 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.62 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 9.9 m-85 -98.26 21.36 11.05 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.311 -0.868 . . . . 0.0 110.551 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.526 ' CG ' ' O ' ' A' ' 15' ' ' MET . 16.1 ptm -95.7 103.37 15.24 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.16 -0.963 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' LYS . 11.9 tttt -83.66 95.1 8.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.101 -1.0 . . . . 0.0 110.097 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 73.0 m-80 57.33 54.69 6.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.337 -0.852 . . . . 0.0 110.194 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.55 -2.48 62.85 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' LYS . 6.6 tmtt? -105.32 105.89 16.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.175 -1.191 . . . . 0.0 110.189 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.901 HD23 ' HA ' ' A' ' 45' ' ' LYS . 15.6 tp -85.36 117.4 24.26 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.292 -0.88 . . . . 0.0 110.16 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.62 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 9.3 p90 -95.58 86.68 4.51 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.178 -0.951 . . . . 0.0 109.627 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.611 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 30.5 t -55.9 -42.64 97.13 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.493 -0.754 . . . . 0.0 111.992 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.2 Cg_exo -62.28 82.0 0.1 OUTLIER 'Trans proline' 0 C--N 1.319 -1.004 0 O-C-N 122.656 0.819 . . . . 0.0 110.808 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.531 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 21.2 tt0 -115.54 -91.26 0.53 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.331 -0.856 . . . . 0.0 109.777 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.595 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 52.5 t0 -134.96 67.69 1.49 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.204 -0.935 . . . . 0.0 109.658 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.814 ' O ' HD11 ' A' ' 38' ' ' ILE . 75.8 mttt -53.22 -13.49 0.53 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.323 -0.861 . . . . 0.0 111.359 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' LYS . 71.0 mmtt -39.83 -27.54 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.114 -0.991 . . . . 0.0 110.628 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 50.5 m-85 -53.1 -19.92 3.28 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.132 -0.98 . . . . 0.0 109.681 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CE1' HD11 ' A' ' 35' ' ' ILE . 6.4 t80 -47.72 -22.2 0.49 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.414 -0.804 . . . . 0.0 110.31 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -68.5 -4.26 14.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -0.901 . . . . 0.0 110.544 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.6 p -135.99 153.38 51.4 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.12 -0.988 . . . . 0.0 110.344 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.647 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.8 tm? -53.56 -52.13 60.73 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.278 -0.889 . . . . 0.0 110.085 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -53.26 -38.2 62.82 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.396 -0.815 . . . . 0.0 108.973 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.461 ' HA3' ' O ' ' A' ' 28' ' ' PHE . . . -71.94 -46.27 37.78 Favored Glycine 0 N--CA 1.486 2.003 0 N-CA-C 108.114 -1.994 . . . . 0.0 108.114 178.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.619 HD11 ' CE1' ' A' ' 29' ' ' PHE . 2.2 mm -56.45 -34.56 41.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.299 -1.118 . . . . 0.0 109.116 179.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.458 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 6.2 mmm -74.98 -64.36 1.07 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.286 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.703 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -47.87 -48.71 31.09 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.097 -1.002 . . . . 0.0 109.187 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.814 HD11 ' O ' ' A' ' 26' ' ' LYS . 5.0 mt -51.45 -38.85 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.037 -1.039 . . . . 0.0 109.184 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 91.8 m-20 -67.91 -37.37 81.63 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.399 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' CYS . 38.6 mttt -70.54 -31.17 68.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.511 -0.743 . . . . 0.0 109.781 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.567 ' SG ' ' CE1' ' A' ' 11' ' ' PHE . 1.6 t -43.46 -66.55 0.36 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.173 -0.954 . . . . 0.0 110.153 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.35 64.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.282 -0.886 . . . . 0.0 110.097 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.537 ' O ' ' CG ' ' A' ' 46' ' ' MET . 88.8 m -69.76 -56.05 8.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.242 -0.911 . . . . 0.0 110.106 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.51 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 49.1 m -56.66 -36.35 69.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.272 -0.892 . . . . 0.0 110.125 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.901 ' HA ' HD23 ' A' ' 20' ' ' LEU . 20.1 ttmt -55.15 -45.9 75.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -0.891 . . . . 0.0 110.445 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.548 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.01 -22.78 64.97 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.145 -0.972 . . . . 0.0 110.298 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.548 ' N ' ' HG3' ' A' ' 46' ' ' MET . 38.8 mm -59.36 -37.35 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.208 -0.932 . . . . 0.0 109.834 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.757 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.4 mm? -76.69 -39.98 50.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.844 . . . . 0.0 109.819 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.09 -27.96 68.74 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.382 -0.824 . . . . 0.0 110.106 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -66.79 -38.16 86.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.301 -0.874 . . . . 0.0 110.188 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -61.77 -21.47 64.59 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.252 -0.905 . . . . 0.0 110.195 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.79 142.52 35.26 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.164 -0.96 . . . . 0.0 110.243 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -75.42 0.36 17.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.264 -0.897 . . . . 0.0 110.259 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.3 m -73.77 -20.3 60.53 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.202 -0.936 . . . . 0.0 110.179 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.197 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 81.3 tttt . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.24 0.543 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.621 ' ND2' ' HB2' ' A' ' 4' ' ' ASP . 43.7 t30 -117.29 123.4 46.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.212 -0.93 . . . . 0.0 110.146 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 7' ' ' MET . 74.4 mm-40 -66.31 -14.08 61.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.208 -0.932 . . . . 0.0 110.311 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.621 ' HB2' ' ND2' ' A' ' 2' ' ' ASN . 74.3 m-20 -77.14 2.57 14.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.203 -0.935 . . . . 0.0 110.257 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -122.95 -30.64 3.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.313 -0.867 . . . . 0.0 109.843 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.487 ' HB2' ' NE2' ' A' ' 9' ' ' HIS . 72.8 mm-40 -137.11 57.23 1.76 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.345 -0.847 . . . . 0.0 109.84 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 6' ' ' GLU . 49.1 mtt -42.37 -29.32 0.26 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.315 -0.866 . . . . 0.0 110.25 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 11' ' ' PHE . 9.1 t -101.85 108.83 20.44 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.194 -0.941 . . . . 0.0 110.191 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.487 ' NE2' ' HB2' ' A' ' 6' ' ' GLU . 25.2 m170 -111.56 -10.38 14.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.245 -0.909 . . . . 0.0 110.07 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' OE1' ' HD3' ' A' ' 40' ' ' LYS . 80.5 mt-10 -73.28 -44.92 58.38 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.284 -0.885 . . . . 0.0 110.226 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.609 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 37.1 m-85 -86.21 -13.57 46.52 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.282 -0.886 . . . . 0.0 110.433 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.547 ' HG3' ' CE ' ' A' ' 15' ' ' MET . 50.0 tt0 -45.23 -43.74 10.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.107 -0.995 . . . . 0.0 109.82 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.52 -19.49 48.61 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.366 -0.834 . . . . 0.0 109.907 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.643 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 15.9 m-30 -87.65 15.03 7.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.244 -0.91 . . . . 0.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.547 ' CE ' ' HG3' ' A' ' 12' ' ' GLN . 21.2 mtm -91.11 107.43 19.2 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.157 -0.964 . . . . 0.0 110.369 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.593 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 54.1 tttm -91.88 103.18 15.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.477 -0.765 . . . . 0.0 109.98 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 52.84 55.41 9.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.198 -0.939 . . . . 0.0 109.948 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.03 21.01 73.33 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 12.7 tmtt? -131.18 99.57 4.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.23 -1.159 . . . . 0.0 110.221 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.791 HD23 ' N ' ' A' ' 21' ' ' PHE . 4.0 tt -69.44 125.88 28.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.176 -0.952 . . . . 0.0 110.183 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.791 ' N ' HD23 ' A' ' 20' ' ' LEU . 6.7 p90 -107.83 81.28 1.48 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.161 -0.962 . . . . 0.0 110.251 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 7.9 t -54.01 -43.5 96.89 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.37 -0.832 . . . . 0.0 111.496 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.2 Cg_exo -63.03 75.29 0.12 Allowed 'Trans proline' 0 C--N 1.319 -1.021 0 O-C-N 122.778 0.883 . . . . 0.0 110.527 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.503 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 17.1 tt0 -120.22 -85.71 0.65 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.391 -0.818 . . . . 0.0 110.021 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.591 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 11.0 t0 -132.11 69.21 1.48 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.276 -0.89 . . . . 0.0 110.087 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 28' ' ' PHE . 66.4 mttt -66.21 -4.97 8.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.226 -0.921 . . . . 0.0 110.717 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 26' ' ' LYS . 43.4 mttm -40.56 -27.85 0.06 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.219 -0.925 . . . . 0.0 110.282 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 19.8 m-85 -49.84 -21.26 1.08 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.285 -0.884 . . . . 0.0 110.07 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 9.0 t80 -51.2 -19.03 1.05 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.271 -0.893 . . . . 0.0 110.619 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -67.29 -5.64 15.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.185 -0.947 . . . . 0.0 110.778 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.5 m -144.44 161.3 39.38 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.008 -1.057 . . . . 0.0 110.615 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.511 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.1 tm? -60.94 -58.04 10.1 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.334 -0.854 . . . . 0.0 110.055 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 36' ' ' MET . 59.4 m-20 -48.92 -37.28 19.44 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.57 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.89 -45.07 34.94 Favored Glycine 0 N--CA 1.482 1.745 0 N-CA-C 108.096 -2.002 . . . . 0.0 108.096 178.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' A' ' 35' ' ' ILE . 6.7 mm -56.05 -32.03 32.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.349 -1.089 . . . . 0.0 109.281 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.456 ' HB2' ' O ' ' A' ' 33' ' ' ASP . 3.2 mtt -57.64 -60.97 2.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.291 -0.881 . . . . 0.0 110.312 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.99 -52.06 12.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.167 -0.958 . . . . 0.0 109.531 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.642 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 10.6 mt -51.17 -34.59 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.759 -1.213 . . . . 0.0 109.728 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -82.64 -19.65 37.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.422 -0.799 . . . . 0.0 110.127 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' CYS . 61.2 tttp -90.52 -28.78 18.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.253 -0.904 . . . . 0.0 110.703 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.571 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 5.7 t -58.63 -74.17 0.07 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.107 -0.996 . . . . 0.0 110.584 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.3 -34.95 1.32 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.02 -1.05 . . . . 0.0 110.094 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.492 ' O ' ' HG3' ' A' ' 46' ' ' MET . 98.4 m -79.59 -24.73 41.82 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.874 . . . . 0.0 109.516 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.535 ' HA ' HG12 ' A' ' 47' ' ' ILE . 10.1 t -85.16 -43.51 13.77 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.48 -0.763 . . . . 0.0 109.547 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.551 ' HA ' HD12 ' A' ' 48' ' ' LEU . 27.8 tttt -51.91 -45.09 64.11 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.318 -0.864 . . . . 0.0 109.867 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.492 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.5 OUTLIER -60.34 -26.83 66.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.261 -0.899 . . . . 0.0 109.931 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.535 HG12 ' HA ' ' A' ' 44' ' ' CYS . 24.4 mm -57.49 -36.98 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.24 -0.912 . . . . 0.0 109.517 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 45' ' ' LYS . 1.2 mt -72.09 -41.63 67.07 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.385 -0.822 . . . . 0.0 109.822 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -48.16 -24.21 1.07 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.222 -0.924 . . . . 0.0 109.689 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 47' ' ' ILE . 18.2 pttt -110.34 -12.74 14.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.42 -0.8 . . . . 0.0 110.09 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.498 ' OE1' HD23 ' A' ' 48' ' ' LEU . 52.0 tt0 -53.08 -29.49 30.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.181 -0.949 . . . . 0.0 109.883 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.91 161.33 25.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.342 -0.848 . . . . 0.0 110.057 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -84.56 -9.89 57.9 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.297 -0.877 . . . . 0.0 110.203 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.2 p -73.24 -21.09 60.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.286 -0.884 . . . . 0.0 110.195 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 94.9 mt-30 . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.238 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.5 mttm . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.291 0.567 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -109.83 148.36 31.64 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.191 -0.943 . . . . 0.0 110.218 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 4' ' ' ASP . 54.8 mm-40 -64.14 -24.71 67.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.263 -0.898 . . . . 0.0 110.114 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.441 ' OD1' HD12 ' A' ' 47' ' ' ILE . 9.9 t0 41.73 48.77 3.74 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.313 -0.867 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.424 ' O ' ' HB2' ' A' ' 6' ' ' GLU . 39.8 tt0 -100.48 91.28 4.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.244 -0.91 . . . . 0.0 110.119 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.584 ' HB3' ' CE1' ' A' ' 9' ' ' HIS . 56.9 mt-10 57.03 45.5 20.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.215 -0.928 . . . . 0.0 110.102 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.6 mmt -61.42 -20.7 63.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.292 -0.88 . . . . 0.0 110.323 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 p -126.91 127.08 44.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 110.376 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.584 ' CE1' ' HB3' ' A' ' 6' ' ' GLU . 93.5 m-70 -115.93 -19.69 10.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.292 -0.88 . . . . 0.0 110.115 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -74.74 -45.93 40.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.254 -0.904 . . . . 0.0 110.197 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.689 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 62.8 m-85 -67.19 -37.53 83.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.215 -0.928 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.497 ' O ' ' CG ' ' A' ' 15' ' ' MET . 40.2 tt0 -46.59 -48.34 19.66 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.058 -1.026 . . . . 0.0 109.053 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.94 -19.64 13.02 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.309 -0.87 . . . . 0.0 109.455 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.618 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 14.1 m-30 -89.4 12.9 14.99 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.265 -0.897 . . . . 0.0 110.405 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 15' ' ' MET . 14.0 ptm -92.76 103.92 16.24 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.055 -1.028 . . . . 0.0 110.381 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 19' ' ' LYS . 11.9 ttmt -87.3 91.96 8.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.117 -0.99 . . . . 0.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 76.0 m-20 57.67 53.15 7.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.29 -0.881 . . . . 0.0 110.178 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.49 -3.38 85.15 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . 6.6 tmtm? -101.35 102.76 13.66 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.126 -1.22 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.737 HD12 HD11 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -89.83 103.99 16.59 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.252 -0.905 . . . . 0.0 110.073 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 8.0 p90 -87.54 69.21 9.76 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.139 -0.976 . . . . 0.0 110.01 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.622 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -45.11 -50.26 27.97 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.434 -0.791 . . . . 0.0 111.493 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.7 Cg_exo -59.2 78.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.315 -1.227 0 O-C-N 123.165 1.087 . . . . 0.0 110.809 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.508 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 5.3 tt0 -105.94 -89.29 0.43 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.543 -0.723 . . . . 0.0 109.488 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.58 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 41.6 t0 -130.6 70.14 1.45 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.292 -0.88 . . . . 0.0 109.532 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.635 ' O ' HD11 ' A' ' 38' ' ' ILE . 25.4 mttt -54.98 -14.39 1.47 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.341 -0.85 . . . . 0.0 111.019 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' LYS . 27.1 mmtp -41.42 -26.84 0.07 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.102 -0.998 . . . . 0.0 110.289 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 31.2 m-85 -54.12 -18.25 3.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.145 -0.972 . . . . 0.0 110.002 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.726 ' CE1' HD11 ' A' ' 35' ' ' ILE . 20.7 t80 -49.42 -20.83 0.77 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.229 -0.919 . . . . 0.0 110.448 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -70.21 -1.97 11.82 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.209 -0.932 . . . . 0.0 110.701 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.4 m -136.41 149.12 48.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.128 -0.982 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -52.08 -47.01 65.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.25 -0.906 . . . . 0.0 110.123 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -56.93 -41.65 78.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.375 -0.828 . . . . 0.0 109.119 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.466 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -68.51 -45.69 66.41 Favored Glycine 0 N--CA 1.485 1.944 0 N-CA-C 108.273 -1.931 . . . . 0.0 108.273 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.726 HD11 ' CE1' ' A' ' 29' ' ' PHE . 4.8 mm -55.38 -36.72 41.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 121.373 -1.075 . . . . 0.0 109.157 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.453 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 2.6 mtt -69.21 -65.41 0.71 Allowed 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.93 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.689 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -48.29 -51.14 27.19 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 119.444 -0.902 . . . . 0.0 108.934 179.753 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.635 HD11 ' O ' ' A' ' 26' ' ' LYS . 8.1 mt -48.7 -37.67 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.152 -0.968 . . . . 0.0 109.192 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 36' ' ' MET . 43.8 m-20 -73.17 -31.18 64.07 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.437 -0.789 . . . . 0.0 109.152 179.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' CYS . 18.9 mttt -77.33 -30.98 54.23 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.469 -0.769 . . . . 0.0 109.364 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.581 ' CA ' ' CZ ' ' A' ' 11' ' ' PHE . 2.2 t -41.09 -72.7 0.06 Allowed 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.556 0.693 . . . . 0.0 109.949 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.65 -32.47 59.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.609 -0.682 . . . . 0.0 110.391 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.526 ' O ' ' CG ' ' A' ' 46' ' ' MET . 25.5 m -69.08 -58.72 3.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.187 -0.946 . . . . 0.0 110.106 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.519 ' O ' HD12 ' A' ' 48' ' ' LEU . 10.6 t -49.56 -37.12 25.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.218 -0.926 . . . . 0.0 110.197 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HA ' HD12 ' A' ' 48' ' ' LEU . 37.8 tttt -57.78 -46.9 83.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.342 -0.848 . . . . 0.0 110.49 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.581 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -66.98 -24.64 66.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.1 -1.0 . . . . 0.0 110.238 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.581 ' N ' ' HG3' ' A' ' 46' ' ' MET . 17.9 mm -63.15 -37.13 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.241 -0.912 . . . . 0.0 109.34 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.737 HD11 HD12 ' A' ' 20' ' ' LEU . 1.1 mt -68.02 -36.63 80.25 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.514 -0.741 . . . . 0.0 109.631 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' LEU . 93.4 mt-10 -46.09 -25.8 0.64 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.279 -0.888 . . . . 0.0 109.085 179.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -78.62 -30.94 46.79 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.512 -0.742 . . . . 0.0 109.927 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' LEU . 78.1 mm-40 -59.63 -25.28 64.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.171 -0.956 . . . . 0.0 110.182 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.98 -23.47 41.56 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.311 -0.868 . . . . 0.0 110.173 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -74.35 -32.75 62.9 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.239 -0.913 . . . . 0.0 110.317 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -75.17 -12.3 60.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.195 -0.941 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.216 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.227 0.537 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -96.49 142.87 28.05 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.232 -0.917 . . . . 0.0 110.192 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 1.8 pm0 -54.95 -27.81 46.46 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.294 -0.879 . . . . 0.0 110.2 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 5' ' ' GLN . 58.0 m-20 56.27 35.03 25.1 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.33 -0.856 . . . . 0.0 110.229 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.494 ' HG3' ' N ' ' A' ' 6' ' ' GLU . 17.5 pt20 -177.14 -32.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.293 -0.88 . . . . 0.0 110.246 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.494 ' N ' ' HG3' ' A' ' 5' ' ' GLN . 59.1 mt-10 -115.84 90.34 3.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.285 -0.885 . . . . 0.0 110.229 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.443 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 32.6 mmt -42.52 -49.61 5.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.305 -0.872 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' ' 11' ' ' PHE . 42.5 t -78.76 147.95 33.17 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.287 -0.883 . . . . 0.0 110.147 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -162.49 -36.67 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.248 -0.907 . . . . 0.0 110.324 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.439 ' CG ' ' CD2' ' A' ' 11' ' ' PHE . 16.0 pt-20 -85.62 -25.41 26.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.301 -0.874 . . . . 0.0 110.284 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.591 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 79.7 m-85 -83.52 -18.24 39.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.194 -0.942 . . . . 0.0 110.127 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.532 ' O ' ' HE2' ' A' ' 15' ' ' MET . 29.9 tt0 -44.65 -45.82 9.85 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.208 -0.933 . . . . 0.0 109.881 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.49 -19.55 57.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.291 -0.881 . . . . 0.0 110.042 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.673 ' CD2' ' NE2' ' A' ' 24' ' ' GLN . 17.0 m-30 -88.66 15.18 8.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.204 -0.935 . . . . 0.0 110.455 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.532 ' HE2' ' O ' ' A' ' 12' ' ' GLN . 23.3 mtm -86.11 128.41 34.87 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.119 -0.988 . . . . 0.0 110.426 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -112.09 99.65 8.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.473 -0.767 . . . . 0.0 110.052 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 52.67 52.11 14.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.241 -0.912 . . . . 0.0 110.005 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.49 18.34 79.87 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.431 ' HD2' ' C ' ' A' ' 19' ' ' LYS . 3.4 tmmm? -128.13 99.97 5.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.209 -1.171 . . . . 0.0 110.224 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.955 HD12 ' HA ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -81.83 115.93 21.27 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.304 -0.872 . . . . 0.0 109.979 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.625 ' N ' HD22 ' A' ' 20' ' ' LEU . 9.5 p90 -94.42 86.07 4.76 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.166 -0.959 . . . . 0.0 109.999 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.633 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 2.1 t -57.64 -42.84 97.71 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.359 -0.838 . . . . 0.0 111.528 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 2.7 Cg_endo -66.08 82.75 0.26 Allowed 'Trans proline' 0 C--N 1.315 -1.23 0 O-C-N 122.805 0.898 . . . . 0.0 111.132 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.673 ' NE2' ' CD2' ' A' ' 14' ' ' PHE . 5.1 pt20 -128.96 -110.44 0.27 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.106 -0.996 . . . . 0.0 109.711 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.575 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 39.1 m-20 -90.5 67.64 6.58 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.801 -1.187 . . . . 0.0 110.007 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 4.2 mtmp? -65.19 -5.62 7.32 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.191 -0.943 . . . . 0.0 111.055 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' LYS . 63.5 mmtt -44.33 -25.22 0.22 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.007 -1.058 . . . . 0.0 110.064 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.575 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 21.6 m-85 -48.15 -22.24 0.61 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.277 -0.89 . . . . 0.0 110.275 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 14.5 t80 -55.75 -15.91 3.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.227 -0.921 . . . . 0.0 110.56 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -68.33 -7.65 33.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.156 -0.965 . . . . 0.0 110.825 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.47 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 16.7 t -148.0 164.13 34.73 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.027 -1.045 . . . . 0.0 110.602 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.595 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.8 tm? -68.06 -53.84 22.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.294 -0.879 . . . . 0.0 110.149 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 36' ' ' MET . 55.8 t0 -54.79 -41.54 70.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.289 -0.882 . . . . 0.0 108.81 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.53 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.09 -37.49 60.0 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 107.785 -2.126 . . . . 0.0 107.785 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.588 HD13 HD12 ' A' ' 38' ' ' ILE . 1.7 mm -60.12 -39.54 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.571 -0.958 . . . . 0.0 109.441 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.452 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 68.2 mmm -43.38 -51.02 6.69 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.343 -0.848 . . . . 0.0 110.199 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -47.12 -47.31 23.35 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.184 -0.948 . . . . 0.0 109.566 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.636 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 8.9 mt -52.09 -39.21 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.766 -1.209 . . . . 0.0 109.78 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 36' ' ' MET . 96.7 m-20 -65.0 -39.23 93.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.358 -0.839 . . . . 0.0 109.843 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 44' ' ' CYS . 17.2 mttt -84.78 -22.47 29.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.442 -0.786 . . . . 0.0 110.022 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.489 ' SG ' ' CE1' ' A' ' 11' ' ' PHE . 1.2 t -60.21 -60.13 4.3 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.279 -0.888 . . . . 0.0 110.072 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -63.56 -31.52 72.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.299 -0.875 . . . . 0.0 110.236 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.522 ' O ' ' CG ' ' A' ' 46' ' ' MET . 91.5 m -79.71 -27.54 40.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.185 -0.947 . . . . 0.0 110.178 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.538 ' HA ' HG12 ' A' ' 47' ' ' ILE . 15.7 t -88.51 -46.45 9.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.235 -0.915 . . . . 0.0 110.19 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.955 ' HA ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -53.67 -26.9 24.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.209 -0.932 . . . . 0.0 110.216 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.522 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -77.52 -24.43 49.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.324 -0.86 . . . . 0.0 109.69 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.538 HG12 ' HA ' ' A' ' 44' ' ' CYS . 16.8 mm -64.51 -24.87 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.362 -0.836 . . . . 0.0 109.619 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.73 HD22 ' N ' ' A' ' 48' ' ' LEU . 2.6 mm? -82.02 -39.43 23.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.331 -0.856 . . . . 0.0 109.645 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.25 -26.73 67.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.414 -0.804 . . . . 0.0 110.195 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -60.75 -46.94 88.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.229 -0.919 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -54.14 -26.44 27.64 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.221 -0.925 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.77 -20.91 45.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.284 -0.885 . . . . 0.0 110.222 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -74.87 -27.6 60.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.27 -0.894 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 t -72.69 -17.32 61.65 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.2 -0.938 . . . . 0.0 110.212 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.227 179.92 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 88.5 mttt . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.185 0.516 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -118.74 143.32 46.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.302 -0.874 . . . . 0.0 110.24 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -61.04 -26.34 67.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.233 -0.917 . . . . 0.0 110.0 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -72.59 -5.16 35.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.353 -0.842 . . . . 0.0 110.04 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -87.58 -39.94 14.67 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.328 -0.858 . . . . 0.0 109.153 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.716 ' HB3' HD12 ' A' ' 47' ' ' ILE . 48.1 mm-40 -93.39 -7.3 45.04 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.557 0.694 . . . . 0.0 109.171 178.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.44 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 37.4 mtm 50.58 65.16 1.54 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.559 -0.713 . . . . 0.0 110.405 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 7' ' ' MET . 54.4 m -152.78 109.37 3.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.257 -0.902 . . . . 0.0 110.171 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -127.35 -50.7 1.4 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.306 -0.871 . . . . 0.0 110.226 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -66.75 -45.58 78.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.254 -0.904 . . . . 0.0 110.22 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.596 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 69.4 m-85 -59.64 -47.13 86.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.259 -0.9 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 15' ' ' MET . 14.2 tt0 -48.29 -37.96 17.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.052 -1.03 . . . . 0.0 109.596 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.55 -15.5 63.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.337 -0.852 . . . . 0.0 109.538 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 11' ' ' PHE . 14.8 m-30 -85.09 15.07 4.36 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.358 -0.839 . . . . 0.0 110.042 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 82.4 mtp -85.93 89.13 7.7 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.164 -0.96 . . . . 0.0 110.028 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 19' ' ' LYS . 76.4 tttt -79.97 103.33 9.78 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.413 -0.804 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 55.14 59.1 4.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.194 -0.941 . . . . 0.0 109.847 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.96 21.66 63.8 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 11.1 tmtt? -126.09 96.01 4.59 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.334 -1.098 . . . . 0.0 110.16 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 45' ' ' LYS . 8.0 tp -73.59 108.84 6.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.23 -0.918 . . . . 0.0 110.068 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 14' ' ' PHE . 27.8 p90 -96.06 76.3 3.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.172 -0.955 . . . . 0.0 110.06 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.611 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -58.23 -47.42 98.85 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.371 -0.831 . . . . 0.0 111.506 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.61 83.86 0.11 Allowed 'Trans proline' 0 C--N 1.314 -1.259 0 O-C-N 123.247 1.13 . . . . 0.0 110.973 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.506 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 14.5 tt0 -124.29 -78.76 0.6 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.459 -0.776 . . . . 0.0 109.878 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.585 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 26.5 t0 -129.73 74.14 1.57 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.441 -0.787 . . . . 0.0 109.926 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 16.6 mttt -66.38 -5.22 10.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.187 -0.946 . . . . 0.0 110.774 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LYS . 44.4 mttp -42.53 -26.56 0.12 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.056 -1.028 . . . . 0.0 110.215 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 21.5 m-85 -53.11 -18.85 2.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -0.878 . . . . 0.0 110.114 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.703 ' HB2' HD11 ' A' ' 38' ' ' ILE . 3.5 t80 -55.87 -18.06 7.92 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.298 -0.877 . . . . 0.0 110.534 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -63.67 -12.58 35.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.141 -0.974 . . . . 0.0 110.81 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.468 ' O ' ' HB ' ' A' ' 35' ' ' ILE . 13.6 t -133.51 154.09 51.11 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.043 -1.036 . . . . 0.0 110.672 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.741 ' O ' HD23 ' A' ' 32' ' ' LEU . 1.3 tt -61.4 -32.51 72.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.279 -0.888 . . . . 0.0 109.967 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -82.88 -40.11 20.67 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.393 -0.817 . . . . 0.0 109.701 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.561 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -73.16 -33.17 59.54 Favored Glycine 0 N--CA 1.486 1.973 0 N-CA-C 108.631 -1.788 . . . . 0.0 108.631 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.61 HG13 ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -74.11 -41.72 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.412 -1.052 . . . . 0.0 109.373 179.254 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.546 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 13.5 mtp -40.67 -40.88 1.39 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.914 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.636 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -50.27 -41.61 50.78 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.945 179.586 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.703 HD11 ' HB2' ' A' ' 29' ' ' PHE . 29.7 mt -53.71 -46.19 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.956 -1.09 . . . . 0.0 109.233 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -59.14 -33.59 71.07 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.638 -0.663 . . . . 0.0 109.921 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 41.7 mttt -90.61 -24.97 20.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.379 -0.826 . . . . 0.0 109.937 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.484 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 7.3 t -50.22 -75.34 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.287 -0.883 . . . . 0.0 110.192 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -52.76 -38.71 61.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.353 -0.842 . . . . 0.0 110.166 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.524 ' O ' ' CG ' ' A' ' 46' ' ' MET . 11.0 m -62.29 -59.64 4.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.211 -0.931 . . . . 0.0 109.957 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.478 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 94.5 m -44.11 -42.89 6.59 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.161 -0.962 . . . . 0.0 109.855 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 27.2 tttt -52.5 -44.54 65.74 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.287 -0.883 . . . . 0.0 110.198 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.573 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -72.83 -23.32 60.75 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.077 -1.015 . . . . 0.0 110.026 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.716 HD12 ' HB3' ' A' ' 6' ' ' GLU . 44.1 mm -61.25 -39.91 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.349 -0.844 . . . . 0.0 109.425 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.656 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.4 mm? -66.98 -39.99 87.31 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.452 -0.78 . . . . 0.0 109.322 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -60.3 -23.78 64.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.452 -0.78 . . . . 0.0 109.923 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 46' ' ' MET . 48.7 mttm -66.04 -39.86 90.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.33 -0.856 . . . . 0.0 110.172 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -53.56 -25.24 16.27 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.296 -0.877 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 55' ' ' GLN . . . -79.28 141.73 36.79 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.168 -0.957 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -60.15 -15.6 25.29 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.264 -0.898 . . . . 0.0 110.201 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.3 p -68.89 -22.62 64.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.21 -0.931 . . . . 0.0 110.211 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 50' ' ' LYS . 47.0 tt0 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.2 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.25 0.548 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -93.59 134.68 35.62 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.256 -0.902 . . . . 0.0 110.205 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.97 -24.87 63.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.194 -0.941 . . . . 0.0 110.178 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.484 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 66.1 t0 -75.1 -26.15 59.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.301 -0.874 . . . . 0.0 110.208 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 7' ' ' MET . 70.2 mt-30 58.82 -85.26 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.389 -0.819 . . . . 0.0 109.649 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 4' ' ' ASP . 81.7 mt-10 -68.76 60.61 0.1 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.188 -0.945 . . . . 0.0 109.09 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.625 ' HB2' HG21 ' A' ' 47' ' ' ILE . 81.6 mtp -39.75 -40.26 0.91 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.614 -0.679 . . . . 0.0 110.545 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.4 m -94.51 141.42 28.61 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.882 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.556 ' CE1' ' HG3' ' A' ' 10' ' ' GLU . 27.1 p80 -111.9 -13.42 13.65 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.307 -0.87 . . . . 0.0 110.159 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.556 ' HG3' ' CE1' ' A' ' 9' ' ' HIS . 72.7 mt-10 -77.47 -45.51 25.43 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.251 -0.905 . . . . 0.0 110.139 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.529 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 51.6 m-85 -77.2 -16.79 58.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.208 -0.933 . . . . 0.0 110.268 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.538 ' O ' ' HE2' ' A' ' 15' ' ' MET . 39.1 tt0 -47.32 -37.42 10.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.049 -1.032 . . . . 0.0 109.785 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.7 -14.79 62.59 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.219 -0.926 . . . . 0.0 109.849 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.587 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 8.7 m-30 -87.5 16.96 4.89 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.209 -0.932 . . . . 0.0 109.949 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.538 ' HE2' ' O ' ' A' ' 12' ' ' GLN . 52.8 mtm -85.98 144.3 27.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.272 -0.892 . . . . 0.0 110.465 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.596 ' HB2' ' CD2' ' A' ' 21' ' ' PHE . 2.9 tttp -125.84 96.38 4.74 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.491 -0.756 . . . . 0.0 109.809 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 51.37 48.65 22.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.245 -0.909 . . . . 0.0 109.719 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.99 16.31 77.14 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 16' ' ' LYS . 8.3 tmtt? -129.22 109.4 11.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.259 -1.142 . . . . 0.0 110.236 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.755 HD23 ' N ' ' A' ' 21' ' ' PHE . 2.0 tt -80.62 124.41 28.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.181 -0.95 . . . . 0.0 110.137 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.755 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.0 p90 -107.01 75.72 1.05 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.216 -0.927 . . . . 0.0 109.971 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.616 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 2.2 t -51.96 -45.4 92.92 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.42 -0.8 . . . . 0.0 111.325 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -61.83 70.36 0.1 Allowed 'Trans proline' 0 C--N 1.318 -1.044 0 O-C-N 122.912 0.954 . . . . 0.0 110.804 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 22' ' ' CYS . 11.5 tt0 -106.91 -74.02 0.67 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.354 -0.841 . . . . 0.0 109.754 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.584 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 50.4 m-20 -146.48 65.38 1.19 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.507 -0.745 . . . . 0.0 109.552 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.575 ' CA ' HD11 ' A' ' 38' ' ' ILE . 83.7 mttt -57.85 -12.16 2.9 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.377 -0.827 . . . . 0.0 110.966 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' LYS . 70.8 mmtt -41.58 -27.1 0.09 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.248 -0.907 . . . . 0.0 110.162 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 15.4 m-85 -52.29 -25.85 10.56 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.227 -0.921 . . . . 0.0 110.015 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.602 ' CD1' HD13 ' A' ' 35' ' ' ILE . 62.4 t80 -41.35 -26.29 0.06 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.404 -0.81 . . . . 0.0 110.519 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 28' ' ' PHE . 36.9 mt-30 -65.36 -7.39 13.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.243 -0.911 . . . . 0.0 110.64 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -130.51 149.96 51.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.118 -0.989 . . . . 0.0 110.275 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HA ' ' HB ' ' A' ' 35' ' ' ILE . 13.5 tp -47.03 -55.19 8.64 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.202 -0.936 . . . . 0.0 110.174 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -50.72 -38.02 44.94 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.223 -0.923 . . . . 0.0 108.579 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.498 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -73.23 -44.3 35.56 Favored Glycine 0 N--CA 1.483 1.795 0 N-CA-C 107.859 -2.096 . . . . 0.0 107.859 178.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.602 HD13 ' CD1' ' A' ' 29' ' ' PHE . 1.7 mm -55.35 -36.71 41.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.301 -1.117 . . . . 0.0 108.742 178.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' PHE . 12.8 mmm -74.41 -64.97 0.91 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.629 -0.829 . . . . 0.0 110.015 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -44.96 -50.23 10.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.133 -0.98 . . . . 0.0 109.043 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.614 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 22.2 mm -47.82 -41.44 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.867 -1.146 . . . . 0.0 109.305 178.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 31.3 m-20 -71.18 -31.23 67.39 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.526 -0.734 . . . . 0.0 110.011 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.522 ' HA ' ' HB ' ' A' ' 43' ' ' THR . 16.3 mtpt -84.85 -17.97 36.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.867 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -55.5 -63.83 1.04 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.107 -0.996 . . . . 0.0 110.199 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' A' ' 46' ' ' MET . . . -75.54 -30.91 59.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 110.217 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.522 ' HB ' ' HA ' ' A' ' 40' ' ' LYS . 98.2 m -69.22 -31.82 70.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.378 -0.826 . . . . 0.0 110.335 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.521 ' HA ' HG12 ' A' ' 47' ' ' ILE . 88.7 m -86.09 -39.89 16.28 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.213 -0.93 . . . . 0.0 109.963 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.603 ' HA ' HD12 ' A' ' 48' ' ' LEU . 11.1 ttmm -55.0 -46.25 75.15 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.191 -0.943 . . . . 0.0 109.729 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.543 ' SD ' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -58.9 -31.09 68.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.319 -0.863 . . . . 0.0 110.107 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.625 HG21 ' HB2' ' A' ' 7' ' ' MET . 14.6 mm -56.48 -37.94 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.24 -0.912 . . . . 0.0 109.602 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 45' ' ' LYS . 1.8 mt -68.77 -41.38 78.9 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.37 -0.831 . . . . 0.0 109.681 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -49.23 -23.13 1.22 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.716 -0.794 . . . . 0.0 109.631 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -78.84 -31.26 45.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.425 -0.797 . . . . 0.0 109.893 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.03 -21.8 65.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.23 -0.919 . . . . 0.0 110.122 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.32 -21.73 55.83 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.295 -0.878 . . . . 0.0 110.192 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -81.95 -28.26 32.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.187 -0.946 . . . . 0.0 110.194 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.3 m 49.06 49.09 20.06 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.191 -0.943 . . . . 0.0 110.118 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.232 179.972 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.242 0.544 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -70.43 156.48 39.29 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.294 -0.879 . . . . 0.0 110.19 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -71.92 -22.48 61.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.321 -0.862 . . . . 0.0 110.159 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 6' ' ' GLU . 98.7 m-20 -71.98 -31.89 66.71 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.299 -0.876 . . . . 0.0 110.204 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.482 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 18.9 tt0 63.33 -70.52 0.06 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.381 -0.825 . . . . 0.0 110.529 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 4' ' ' ASP . 78.6 mm-40 -58.37 -29.97 66.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.276 -0.89 . . . . 0.0 110.269 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.746 ' HE2' ' HB2' ' A' ' 9' ' ' HIS . 18.6 ttt 56.16 104.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.3 -0.875 . . . . 0.0 110.209 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' HIS . 0.9 OUTLIER -77.26 1.89 17.25 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.238 -0.913 . . . . 0.0 110.184 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.746 ' HB2' ' HE2' ' A' ' 7' ' ' MET . 84.2 t60 -41.65 -41.46 2.23 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.321 -0.862 . . . . 0.0 110.301 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -56.2 -41.86 76.26 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.168 -0.958 . . . . 0.0 110.155 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.591 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 7.3 m-85 -97.27 -9.44 27.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.163 -0.961 . . . . 0.0 110.2 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.458 ' O ' ' SD ' ' A' ' 15' ' ' MET . 5.7 tp60 -46.23 -28.62 1.32 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.09 -1.006 . . . . 0.0 109.607 179.778 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.22 -23.82 61.29 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.273 -0.892 . . . . 0.0 109.702 179.618 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 11' ' ' PHE . 10.5 m-85 -90.39 18.56 6.01 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.317 -0.865 . . . . 0.0 110.142 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.529 ' CG ' ' O ' ' A' ' 15' ' ' MET . 19.6 ptt? -95.99 119.89 35.29 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.172 -0.955 . . . . 0.0 110.299 -179.824 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 84.8 tttt -96.52 89.72 5.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.184 -0.948 . . . . 0.0 110.105 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.446 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 16.7 t-20 64.08 52.48 2.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.24 -0.912 . . . . 0.0 110.23 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.22 -1.54 75.1 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -107.21 102.83 12.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.183 -1.186 . . . . 0.0 110.211 -179.961 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.5 tm? -82.0 114.92 20.9 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.223 -0.923 . . . . 0.0 110.18 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.589 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 11.6 p90 -97.37 86.72 3.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -0.912 . . . . 0.0 109.849 179.529 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.61 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 2.7 t -50.79 -45.91 86.74 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.336 -0.853 . . . . 0.0 111.183 -179.847 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -62.38 82.11 0.1 Allowed 'Trans proline' 0 C--N 1.318 -1.063 0 O-C-N 122.859 0.926 . . . . 0.0 110.802 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.452 ' O ' ' HB3' ' A' ' 25' ' ' ASP . 12.4 tt0 -129.96 77.59 1.8 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.323 -0.86 . . . . 0.0 109.591 179.481 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 35.2 t0 56.45 54.57 7.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.371 -0.831 . . . . 0.0 109.583 -179.38 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.543 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 75.8 mttt -57.13 -12.41 2.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.428 -0.795 . . . . 0.0 110.888 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 66.2 mmtt -40.69 -26.08 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.283 -0.886 . . . . 0.0 110.439 179.781 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 8.2 m-85 -41.4 -28.11 0.11 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.375 -0.828 . . . . 0.0 109.888 179.735 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.629 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 6.1 t80 -41.95 -25.63 0.07 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.413 -0.805 . . . . 0.0 110.611 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' PHE . 28.5 mt-30 -63.93 -8.9 12.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.237 -0.914 . . . . 0.0 110.584 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 71.1 m -136.66 146.73 46.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.123 -0.986 . . . . 0.0 110.439 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tt -47.06 -57.72 4.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.264 -0.898 . . . . 0.0 110.008 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -51.32 -35.95 40.43 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.407 -0.808 . . . . 0.0 108.858 179.604 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.544 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -73.29 -42.93 40.58 Favored Glycine 0 N--CA 1.485 1.956 0 N-CA-C 108.227 -1.949 . . . . 0.0 108.227 178.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.629 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 2.5 mm -59.17 -34.61 54.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.268 -1.137 . . . . 0.0 109.464 179.221 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.445 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 8.5 mtp -62.01 -59.52 4.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.266 -0.896 . . . . 0.0 110.224 179.69 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.655 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.33 -54.18 4.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.23 -0.919 . . . . 0.0 109.538 -179.7 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.655 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 9.8 mt -50.52 -39.1 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.758 -1.214 . . . . 0.0 109.667 179.291 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 36' ' ' MET . 46.4 m-20 -62.43 -38.54 90.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.334 -0.853 . . . . 0.0 109.577 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 44' ' ' CYS . 7.9 mttp -87.65 -18.37 29.75 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.487 -0.758 . . . . 0.0 109.882 179.528 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -56.22 -67.74 0.27 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.303 -0.873 . . . . 0.0 110.172 179.936 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.469 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -66.12 -27.83 68.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.248 -0.907 . . . . 0.0 110.476 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.508 ' O ' ' CG ' ' A' ' 46' ' ' MET . 77.6 m -80.14 -18.87 48.6 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.142 -0.974 . . . . 0.0 110.217 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 40' ' ' LYS . 54.1 t -92.3 -51.84 4.96 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.287 -0.883 . . . . 0.0 110.301 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.524 ' HG3' ' N ' ' A' ' 46' ' ' MET . 2.2 ptpt -53.3 -25.99 16.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.201 -0.937 . . . . 0.0 109.931 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.524 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -73.97 -25.43 59.93 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.341 -0.849 . . . . 0.0 109.891 179.867 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.51 ' CD1' ' SD ' ' A' ' 46' ' ' MET . 8.8 mm -71.23 -33.93 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.309 -0.869 . . . . 0.0 109.546 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.698 HD13 ' HB3' ' A' ' 20' ' ' LEU . 1.1 mt -69.19 -42.42 75.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.478 -0.764 . . . . 0.0 109.843 179.636 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -46.0 -25.21 0.52 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.868 . . . . 0.0 109.741 179.621 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -72.05 -27.4 62.67 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.385 -0.822 . . . . 0.0 110.016 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 48' ' ' LEU . 74.6 tt0 -74.84 -27.5 60.3 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.32 -0.862 . . . . 0.0 110.308 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.74 -23.69 45.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.185 -0.947 . . . . 0.0 110.168 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -76.18 -29.05 57.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.236 -0.915 . . . . 0.0 110.23 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -78.13 -23.05 47.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.232 -0.917 . . . . 0.0 110.216 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.433 ' HA ' ' OE1' ' A' ' 55' ' ' GLN . 5.2 tp60 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.214 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.69 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 61.2 m-85 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.147 0.499 . . . . 0.0 110.18 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.477 ' O ' ' CG ' ' A' ' 15' ' ' MET . 38.3 tt0 -46.46 -45.54 18.3 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.116 -0.99 . . . . 0.0 109.213 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.89 -18.83 36.64 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.3 -0.875 . . . . 0.0 109.753 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.64 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 15.3 m-30 -87.34 12.04 12.95 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 0.0 110.469 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.538 ' O ' ' CG ' ' A' ' 15' ' ' MET . 7.9 ptt? -98.83 117.95 34.48 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.049 -1.032 . . . . 0.0 110.625 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 19' ' ' LYS . 17.8 tptm -98.88 85.95 3.39 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.186 -0.946 . . . . 0.0 109.853 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 77.1 m-20 59.39 52.13 6.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.483 -0.76 . . . . 0.0 110.593 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.66 -8.8 78.21 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 15' ' ' MET . 0.0 OUTLIER -99.55 111.61 23.93 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.096 -1.238 . . . . 0.0 110.405 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.731 HD13 ' HA ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -95.61 103.56 15.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.175 -0.953 . . . . 0.0 110.138 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.64 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 8.3 p90 -90.73 65.36 5.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.201 -0.937 . . . . 0.0 110.017 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.604 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -50.98 -46.92 87.98 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.448 -0.783 . . . . 0.0 111.48 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.2 Cg_exo -63.82 84.45 0.14 Allowed 'Trans proline' 0 C--N 1.314 -1.258 0 O-C-N 123.19 1.1 . . . . 0.0 110.716 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.521 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 18.0 tt0 -121.7 -83.94 0.66 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.333 -0.854 . . . . 0.0 110.068 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.583 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 10.7 t0 -126.61 70.95 1.27 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.314 -0.866 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.681 ' O ' HD11 ' A' ' 38' ' ' ILE . 58.1 mttt -65.0 -7.03 10.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.202 -0.937 . . . . 0.0 110.77 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' LYS . 85.0 mttt -41.83 -27.25 0.11 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.126 -0.983 . . . . 0.0 110.107 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 20.5 m-85 -53.59 -19.49 3.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.253 -0.904 . . . . 0.0 109.867 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.695 ' CE1' HD11 ' A' ' 35' ' ' ILE . 19.4 t80 -46.93 -24.17 0.56 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.343 -0.848 . . . . 0.0 110.078 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.76 -5.0 18.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.381 -0.824 . . . . 0.0 110.46 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.7 m -130.08 165.12 22.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.127 -0.983 . . . . 0.0 110.222 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' ' 32' ' ' LEU . 4.1 tt -64.58 -50.76 65.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.252 -0.905 . . . . 0.0 110.154 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -55.2 -39.59 69.79 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.367 -0.833 . . . . 0.0 109.118 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.04 -48.75 45.44 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 108.241 -1.944 . . . . 0.0 108.241 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.695 HD11 ' CE1' ' A' ' 29' ' ' PHE . 4.0 mm -55.06 -35.38 34.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.297 -1.119 . . . . 0.0 109.037 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.471 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 26.6 mmm -74.06 -65.13 0.88 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.44 -0.787 . . . . 0.0 109.996 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -46.06 -50.53 15.06 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.123 -0.986 . . . . 0.0 108.844 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.681 HD11 ' O ' ' A' ' 26' ' ' LYS . 6.8 mt -51.44 -39.43 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.115 -0.99 . . . . 0.0 109.477 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 98.3 m-20 -67.2 -35.91 80.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -0.86 . . . . 0.0 109.237 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -83.63 -14.56 51.67 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.53 -0.731 . . . . 0.0 109.433 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 8.1 t -65.26 -71.61 0.18 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.425 -0.797 . . . . 0.0 109.645 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.32 -30.33 4.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.522 -0.736 . . . . 0.0 109.823 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 46' ' ' MET . 91.9 m -80.05 -53.57 6.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.298 -0.876 . . . . 0.0 109.654 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.501 ' HA ' HG13 ' A' ' 47' ' ' ILE . 12.8 t -52.19 -26.12 10.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.277 -0.889 . . . . 0.0 109.878 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.731 ' HA ' HD13 ' A' ' 20' ' ' LEU . 28.7 tttt -67.74 -48.3 66.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.332 -0.855 . . . . 0.0 110.061 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.545 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -63.68 -22.65 67.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.247 -0.908 . . . . 0.0 109.901 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.545 ' N ' ' HG3' ' A' ' 46' ' ' MET . 34.8 mm -60.19 -38.13 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.378 -0.826 . . . . 0.0 109.552 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.727 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.5 mm? . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.381 -0.824 . . . . 0.0 109.864 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.592 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 39.5 m-85 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.114 0.483 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 15' ' ' MET . 7.9 tt0 -46.57 -26.18 0.84 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.028 -1.045 . . . . 0.0 109.783 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.84 -22.39 59.79 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.248 -0.908 . . . . 0.0 109.767 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.618 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 13.5 m-85 -90.32 17.81 6.79 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.303 -0.873 . . . . 0.0 110.278 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.542 ' O ' ' CG ' ' A' ' 15' ' ' MET . 21.3 ptm -98.95 118.22 35.24 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.096 -1.002 . . . . 0.0 110.562 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 10.9 tttt -96.89 85.46 3.78 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.193 -0.942 . . . . 0.0 109.9 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 75.4 m-20 59.04 53.97 5.24 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.405 -0.809 . . . . 0.0 110.658 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.46 -16.29 58.1 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 15' ' ' MET . 1.7 tmtp? -92.73 129.64 38.59 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.097 -1.237 . . . . 0.0 110.094 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.582 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.2 tt -109.01 110.18 21.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.136 -0.977 . . . . 0.0 110.379 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 11.0 p90 -96.9 63.53 1.96 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.234 -0.916 . . . . 0.0 109.861 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.61 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.6 OUTLIER -51.53 -45.89 90.73 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.482 -0.761 . . . . 0.0 111.548 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.0 Cg_exo -65.3 79.09 0.23 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.171 1.09 . . . . 0.0 111.201 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 22' ' ' CYS . 5.5 pt20 -122.19 -112.96 0.32 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.129 -0.982 . . . . 0.0 109.461 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 20.0 t70 -93.29 69.3 4.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.869 -1.145 . . . . 0.0 109.73 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 28' ' ' PHE . 15.6 mtpt -68.0 -3.71 10.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.275 -0.891 . . . . 0.0 110.839 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LYS . 58.6 mttp -42.69 -26.34 0.12 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.161 -0.962 . . . . 0.0 110.236 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 24.7 m-85 -46.35 -23.86 0.41 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.254 -0.904 . . . . 0.0 110.316 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.51 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 18.2 t80 -42.5 -25.0 0.07 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.211 -0.93 . . . . 0.0 110.78 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' PHE . 20.3 pt20 -72.14 0.13 10.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.176 -0.953 . . . . 0.0 110.738 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -137.06 158.83 43.56 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.1 -1.0 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.69 -52.04 66.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 110.181 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -53.51 -35.65 60.89 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.288 -0.882 . . . . 0.0 109.11 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.464 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -70.84 -52.08 16.5 Favored Glycine 0 N--CA 1.486 2.015 0 N-CA-C 108.292 -1.923 . . . . 0.0 108.292 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.503 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 3.7 mm -53.63 -31.45 19.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 O-C-N 121.206 -1.173 . . . . 0.0 108.986 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.454 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 7.3 mmt -74.37 -66.51 0.72 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.361 -0.837 . . . . 0.0 110.025 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.622 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.65 -49.71 14.12 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.029 -1.044 . . . . 0.0 108.994 179.777 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.622 ' CG1' ' CE1' ' A' ' 37' ' ' PHE . 9.3 mt -51.91 -37.57 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.072 -1.018 . . . . 0.0 109.554 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 98.8 m-20 -70.15 -37.76 75.33 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.347 -0.846 . . . . 0.0 109.684 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.5 ' HA ' ' HB ' ' A' ' 43' ' ' THR . 39.9 mttt -83.51 -17.87 40.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.516 -0.74 . . . . 0.0 109.398 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.545 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 42.8 t -50.14 -68.07 0.2 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.497 -0.752 . . . . 0.0 110.157 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.75 74.56 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.453 -0.779 . . . . 0.0 110.388 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 46' ' ' MET . 98.4 m -69.36 -37.66 77.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.237 -0.915 . . . . 0.0 110.071 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.519 ' HA ' HG12 ' A' ' 47' ' ' ILE . 97.7 m -76.69 -29.68 56.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.265 -0.897 . . . . 0.0 109.728 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.582 ' HA ' HD13 ' A' ' 20' ' ' LEU . 31.3 tttt -62.81 -44.26 96.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.331 -0.855 . . . . 0.0 109.939 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.525 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -63.9 -25.17 68.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.278 -0.888 . . . . 0.0 109.89 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.519 HG12 ' HA ' ' A' ' 44' ' ' CYS . 20.7 mm -57.16 -42.38 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.385 -0.822 . . . . 0.0 109.768 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.688 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? . . . . . 0 N--CA 1.489 1.505 0 O-C-N 121.311 -0.868 . . . . 0.0 109.944 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.599 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 59.9 m-85 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.15 0.5 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.455 ' O ' ' HG2' ' A' ' 15' ' ' MET . 61.0 tt0 -46.45 -39.48 10.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.146 -0.971 . . . . 0.0 109.453 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.52 -20.25 64.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.396 -0.815 . . . . 0.0 109.762 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.633 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 7.1 m-30 -92.6 17.62 9.91 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.337 -0.852 . . . . 0.0 110.46 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.551 ' O ' ' CG ' ' A' ' 15' ' ' MET . 21.2 ptm -99.05 115.9 30.05 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.012 -1.055 . . . . 0.0 110.794 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -95.98 87.62 4.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.193 -0.942 . . . . 0.0 109.782 179.584 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 76.2 m-20 58.4 51.88 7.77 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.89 . . . . 0.0 110.285 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.13 -11.56 66.99 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.49 ' C ' ' CD ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -95.71 111.25 23.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.022 -1.281 . . . . 0.0 110.297 -179.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 21' ' ' PHE . 1.5 tt -93.27 114.77 27.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.098 -1.001 . . . . 0.0 110.227 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.633 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 7.4 p90 -99.11 69.27 1.72 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.141 -0.974 . . . . 0.0 110.04 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.61 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -48.75 -48.89 69.12 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.517 -0.74 . . . . 0.0 111.45 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.4 Cg_exo -61.99 83.12 0.1 OUTLIER 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.247 1.13 . . . . 0.0 110.784 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.495 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 13.1 tt0 -126.56 -77.11 0.58 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.455 -0.778 . . . . 0.0 109.867 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.586 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 29.8 t0 -136.28 76.91 1.63 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.364 -0.835 . . . . 0.0 110.041 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.588 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 30.8 mtpt -68.84 -2.71 10.2 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.199 -0.938 . . . . 0.0 110.826 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 26' ' ' LYS . 71.4 mttt -41.69 -27.98 0.13 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.151 -0.968 . . . . 0.0 110.188 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.587 ' HB3' ' CA ' ' A' ' 34' ' ' GLY . 22.9 m-85 -48.77 -21.57 0.65 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.412 -0.805 . . . . 0.0 110.381 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.588 ' HB2' HD11 ' A' ' 38' ' ' ILE . 9.7 t80 -53.02 -18.17 1.87 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.224 -0.922 . . . . 0.0 110.498 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -68.74 -4.34 15.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.15 -0.969 . . . . 0.0 110.877 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 35' ' ' ILE . 34.5 m -144.45 160.69 40.66 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.024 -1.048 . . . . 0.0 110.557 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.78 -59.83 4.76 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.276 -0.89 . . . . 0.0 109.851 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -50.95 -37.43 44.37 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.587 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.75 -39.6 54.97 Favored Glycine 0 N--CA 1.483 1.801 0 N-CA-C 108.161 -1.976 . . . . 0.0 108.161 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' SER . 2.0 mm -59.64 -36.3 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.496 -1.002 . . . . 0.0 109.601 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' PHE . 33.8 mmt -54.07 -55.75 24.53 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.321 -0.862 . . . . 0.0 110.349 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.632 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.86 -52.72 6.58 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.174 -0.953 . . . . 0.0 109.727 -179.758 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.632 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 7.6 mt -51.24 -36.89 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.806 -1.184 . . . . 0.0 109.85 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.02 -31.69 69.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 109.857 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.452 ' HA ' ' HB ' ' A' ' 43' ' ' THR . 53.5 mttt -95.49 -15.09 23.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.321 -0.862 . . . . 0.0 109.869 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.545 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 17.9 t -54.33 -71.8 0.07 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.405 -0.809 . . . . 0.0 110.165 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -61.91 -34.0 75.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.417 -0.802 . . . . 0.0 110.158 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.522 ' O ' ' CG ' ' A' ' 46' ' ' MET . 34.2 m -67.55 -58.29 4.96 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.222 -0.923 . . . . 0.0 109.932 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.501 ' HA ' HG13 ' A' ' 47' ' ' ILE . 42.0 t -52.38 -27.71 16.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.189 -0.944 . . . . 0.0 109.926 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 44.0 tttt -64.71 -49.05 72.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.156 -0.965 . . . . 0.0 109.936 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -64.06 -23.33 67.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.265 -0.897 . . . . 0.0 109.97 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.554 ' N ' ' HG3' ' A' ' 46' ' ' MET . 48.7 mm -57.35 -39.96 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.248 -0.908 . . . . 0.0 109.628 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.73 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.346 -0.846 . . . . 0.0 109.678 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.581 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 44.0 m-85 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.131 0.491 . . . . 0.0 110.148 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 15' ' ' MET . 12.7 tt0 -47.44 -39.78 16.44 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.103 -0.998 . . . . 0.0 109.681 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.02 -16.79 62.43 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.298 -0.877 . . . . 0.0 109.646 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.63 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 18.1 m-30 -86.43 14.12 7.21 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.387 -0.82 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 85.9 mtp -88.96 102.98 15.61 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.229 -0.919 . . . . 0.0 110.455 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 19' ' ' LYS . 38.9 ttmt -98.5 103.84 15.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.472 -0.768 . . . . 0.0 110.075 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 57.83 56.02 5.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 0.0 110.043 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.81 24.33 69.8 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 1.3 tmtp? -129.31 108.85 10.63 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.313 -1.11 . . . . 0.0 110.251 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.536 HD23 ' C ' ' A' ' 20' ' ' LEU . 1.2 tt -83.54 105.83 14.79 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.255 -0.903 . . . . 0.0 110.082 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.63 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 26.6 p90 -91.46 71.88 6.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.019 -1.051 . . . . 0.0 109.982 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.61 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -49.66 -47.39 78.9 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.396 -0.815 . . . . 0.0 111.457 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.4 Cg_exo -62.35 73.86 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.185 0 O-C-N 123.094 1.05 . . . . 0.0 110.837 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 22' ' ' CYS . 10.6 tt0 -101.18 -52.72 3.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.415 -0.803 . . . . 0.0 109.722 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 53.6 t0 -165.03 64.67 0.13 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.474 -0.767 . . . . 0.0 109.861 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.893 ' O ' HD11 ' A' ' 38' ' ' ILE . 92.2 mttt -55.16 -15.04 1.94 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.368 -0.833 . . . . 0.0 110.899 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 96.8 mttt -41.32 -26.75 0.06 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.219 -0.925 . . . . 0.0 110.396 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 14.9 m-85 -53.61 -18.46 2.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 0.0 110.202 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.706 ' CE1' HD11 ' A' ' 35' ' ' ILE . 15.4 t80 -41.89 -26.24 0.08 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.28 -0.888 . . . . 0.0 110.444 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' PHE . 25.4 pt20 -66.97 -5.8 14.24 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.293 -0.879 . . . . 0.0 110.726 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.7 m -132.33 153.26 50.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.061 -1.025 . . . . 0.0 110.402 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.7 tt -53.28 -45.66 68.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.129 -0.982 . . . . 0.0 110.027 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -57.38 -39.75 76.73 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.344 -0.847 . . . . 0.0 109.133 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.472 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -70.21 -48.04 41.11 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 108.179 -1.968 . . . . 0.0 108.179 178.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.706 HD11 ' CE1' ' A' ' 29' ' ' PHE . 5.1 mm -56.08 -33.88 37.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 121.358 -1.083 . . . . 0.0 109.299 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.455 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 4.7 mtp -72.52 -64.17 1.01 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.389 -0.82 . . . . 0.0 110.008 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.645 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -50.05 -49.37 51.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.053 -1.029 . . . . 0.0 109.073 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.893 HD11 ' O ' ' A' ' 26' ' ' LYS . 6.9 mt -53.65 -35.35 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.049 -1.032 . . . . 0.0 109.487 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 92.5 m-20 -72.51 -38.93 67.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.469 -0.769 . . . . 0.0 109.916 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 44' ' ' CYS . 24.4 tttt -82.79 -22.18 34.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.498 -0.751 . . . . 0.0 109.76 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.533 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 8.5 t -54.66 -72.44 0.06 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.382 -0.824 . . . . 0.0 109.941 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.06 -31.04 17.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 0.0 109.918 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 46' ' ' MET . 95.1 m -80.1 -22.53 42.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.502 -0.749 . . . . 0.0 109.817 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.514 ' HA ' HG12 ' A' ' 47' ' ' ILE . 13.4 t -81.62 -42.35 20.15 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.311 -0.868 . . . . 0.0 109.543 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -54.53 -40.23 68.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.407 -0.808 . . . . 0.0 109.634 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.529 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -65.01 -23.63 67.27 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.205 -0.934 . . . . 0.0 109.858 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.529 ' N ' ' HG3' ' A' ' 46' ' ' MET . 27.3 mm -61.35 -37.28 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.35 -0.844 . . . . 0.0 109.562 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.72 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.415 -0.803 . . . . 0.0 109.679 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.594 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 42.5 m-85 . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.204 0.525 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.514 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 52.0 tt0 -46.41 -43.95 16.81 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.27 -0.894 . . . . 0.0 109.336 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.87 -20.7 38.53 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.348 -0.845 . . . . 0.0 109.537 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.658 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 9.3 m-30 -90.55 18.05 6.75 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.289 -0.882 . . . . 0.0 110.168 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.535 ' O ' ' CG ' ' A' ' 15' ' ' MET . 8.1 ptt? -100.09 118.39 36.35 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.202 -0.936 . . . . 0.0 110.496 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 16.8 tppt? -96.56 81.25 3.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.172 -0.955 . . . . 0.0 109.956 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.465 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 11.4 t-20 66.88 52.9 0.88 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 110.048 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.57 -16.56 44.64 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -93.17 104.07 16.29 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.17 -1.194 . . . . 0.0 110.398 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.466 HD23 ' C ' ' A' ' 20' ' ' LEU . 2.2 tt -81.95 113.67 20.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.295 -0.878 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.658 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 7.5 p90 -97.71 70.31 2.19 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.219 -0.926 . . . . 0.0 109.971 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.611 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -48.7 -49.01 68.32 Favored Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.437 -0.789 . . . . 0.0 111.266 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.43 82.69 0.1 Allowed 'Trans proline' 0 C--N 1.314 -1.268 0 O-C-N 123.311 1.163 . . . . 0.0 110.791 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.478 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 11.6 tt0 -125.63 -76.48 0.59 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.506 -0.746 . . . . 0.0 109.741 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.573 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 19.8 t0 -136.03 78.21 1.7 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.4 -0.813 . . . . 0.0 109.887 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 35.8 mttt -68.94 -2.58 10.11 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.27 -0.894 . . . . 0.0 110.76 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LYS . 71.7 mttt -41.33 -27.23 0.08 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.171 -0.956 . . . . 0.0 110.322 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 25.7 m-85 -48.49 -21.33 0.54 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.312 -0.868 . . . . 0.0 110.533 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.886 ' CD2' HD11 ' A' ' 35' ' ' ILE . 9.3 t80 -55.86 -16.47 4.62 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.216 -0.927 . . . . 0.0 110.392 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -61.89 -11.0 10.79 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.207 -0.933 . . . . 0.0 110.975 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' ILE . 8.4 p -147.32 165.7 29.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.01 -1.056 . . . . 0.0 110.744 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.414 ' HA ' ' HB ' ' A' ' 35' ' ' ILE . 3.4 tt -62.41 -54.93 33.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.436 -0.79 . . . . 0.0 110.172 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -54.7 -39.1 67.81 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.282 -0.886 . . . . 0.0 108.991 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.565 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -73.87 -35.45 54.37 Favored Glycine 0 N--CA 1.484 1.893 0 N-CA-C 108.184 -1.966 . . . . 0.0 108.184 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.886 HD11 ' CD2' ' A' ' 29' ' ' PHE . 1.1 mm -64.01 -36.58 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.567 -0.961 . . . . 0.0 109.582 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.8 mtp -49.83 -52.4 32.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.271 -0.893 . . . . 0.0 110.489 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.635 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.72 -49.52 14.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.194 -0.941 . . . . 0.0 109.731 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 29' ' ' PHE . 16.5 mt -50.1 -38.38 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.95 -1.094 . . . . 0.0 109.825 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -72.86 -26.11 61.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.384 -0.822 . . . . 0.0 109.66 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 46.7 mttt -96.91 -12.22 23.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.492 -0.755 . . . . 0.0 109.763 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.546 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 8.7 t -60.61 -73.48 0.09 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.28 -0.888 . . . . 0.0 109.881 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -55.67 -32.06 62.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.473 -0.767 . . . . 0.0 110.026 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.54 ' O ' ' CG ' ' A' ' 46' ' ' MET . 18.7 m -72.82 -56.64 4.93 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 0.0 109.721 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.484 ' SG ' ' CD1' ' A' ' 11' ' ' PHE . 50.4 m -49.51 -23.89 1.81 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.104 -0.998 . . . . 0.0 109.645 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 38.5 tttt -69.59 -51.52 34.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.461 -0.774 . . . . 0.0 110.08 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -59.19 -26.08 64.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.097 -1.002 . . . . 0.0 109.712 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.537 ' N ' ' HG3' ' A' ' 46' ' ' MET . 24.0 mm -57.75 -38.86 67.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.362 -0.836 . . . . 0.0 109.459 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.693 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.6 mm? . . . . . 0 N--CA 1.489 1.525 0 O-C-N 121.339 -0.85 . . . . 0.0 109.519 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.554 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 44.3 m-85 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.183 0.516 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.478 ' O ' ' HE2' ' A' ' 15' ' ' MET . 41.4 tt0 -46.28 -25.67 0.67 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.174 -0.954 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.94 -20.39 45.76 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.898 . . . . 0.0 110.248 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.593 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 6.8 m-30 -88.01 18.74 4.01 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.194 -0.941 . . . . 0.0 110.079 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.478 ' HE2' ' O ' ' A' ' 12' ' ' GLN . 41.3 mtm -82.07 144.31 30.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.4 -0.812 . . . . 0.0 110.36 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 19' ' ' LYS . 4.0 tttt -127.52 90.99 3.21 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.394 -0.816 . . . . 0.0 109.722 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 79.5 m-20 56.04 49.87 14.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.351 -0.843 . . . . 0.0 109.727 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.77 10.43 85.14 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 16' ' ' LYS . 7.7 tmtt? -121.86 106.84 11.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.257 -1.143 . . . . 0.0 110.35 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.807 HD23 ' HA ' ' A' ' 45' ' ' LYS . 11.9 tp -86.61 117.03 25.11 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.345 -0.847 . . . . 0.0 110.032 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.593 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 8.7 p90 -95.57 85.23 4.13 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.072 -1.018 . . . . 0.0 110.067 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.615 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.7 OUTLIER -52.16 -46.37 93.66 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.382 -0.824 . . . . 0.0 111.368 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.05 83.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 122.933 0.965 . . . . 0.0 110.875 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.501 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 15.8 tt0 -112.38 -79.61 0.58 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.337 -0.852 . . . . 0.0 110.038 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.584 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 50.6 t0 -144.63 66.21 1.27 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.29 -0.881 . . . . 0.0 109.963 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.716 ' O ' HD11 ' A' ' 38' ' ' ILE . 35.9 mtpt -56.53 -14.17 2.92 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.258 -0.901 . . . . 0.0 110.904 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 96.8 mttt -41.79 -26.45 0.08 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.122 -0.986 . . . . 0.0 110.429 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 18.0 m-85 -55.55 -16.69 4.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.212 -0.93 . . . . 0.0 110.321 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.909 ' CE1' HD11 ' A' ' 35' ' ' ILE . 6.1 t80 -41.89 -26.49 0.09 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.151 -0.968 . . . . 0.0 110.365 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' PHE . 23.1 pt20 -66.63 -5.41 11.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.35 -0.844 . . . . 0.0 110.716 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.9 p -132.43 153.95 50.33 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.057 -1.027 . . . . 0.0 110.042 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tt -52.1 -50.44 61.63 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.16 -0.962 . . . . 0.0 110.096 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -53.86 -37.29 63.52 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.365 -0.835 . . . . 0.0 109.11 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.465 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -70.8 -49.97 26.64 Favored Glycine 0 N--CA 1.484 1.875 0 N-CA-C 108.253 -1.939 . . . . 0.0 108.253 179.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.909 HD11 ' CE1' ' A' ' 29' ' ' PHE . 1.6 mm -55.24 -32.98 29.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.313 -1.11 . . . . 0.0 109.233 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.468 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 30.6 mmm -78.21 -64.16 1.23 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.867 . . . . 0.0 110.079 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.98 -49.57 15.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.093 -1.004 . . . . 0.0 109.157 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.716 HD11 ' O ' ' A' ' 26' ' ' LYS . 6.6 mt -51.28 -38.66 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.082 -1.011 . . . . 0.0 109.533 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 72.7 m-20 -70.26 -34.52 72.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.364 -0.835 . . . . 0.0 109.856 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.523 ' HA ' ' HB ' ' A' ' 43' ' ' THR . 31.9 mtpt -82.07 -20.01 39.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.487 -0.758 . . . . 0.0 110.141 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.534 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 2.7 t -48.53 -64.75 0.71 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.241 -0.912 . . . . 0.0 110.022 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.46 -32.37 73.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 0.0 110.098 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.529 ' O ' ' CG ' ' A' ' 46' ' ' MET . 29.3 m -65.9 -58.4 5.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.263 -0.898 . . . . 0.0 110.163 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.471 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 74.0 m -55.6 -34.65 65.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.128 -0.982 . . . . 0.0 110.147 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.807 ' HA ' HD23 ' A' ' 20' ' ' LEU . 30.4 tttt -58.51 -51.19 70.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.294 -0.879 . . . . 0.0 110.587 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.546 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -59.16 -23.7 62.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.149 -0.969 . . . . 0.0 110.365 -179.704 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.546 ' N ' ' HG3' ' A' ' 46' ' ' MET . 24.6 mm -60.03 -36.19 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.259 -0.901 . . . . 0.0 109.827 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.746 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.343 -0.848 . . . . 0.0 109.971 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.609 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 83.9 m-85 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.167 0.508 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' A' ' 15' ' ' MET . 60.3 tt0 -45.51 -47.25 14.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.154 -0.966 . . . . 0.0 109.648 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.6 -18.83 22.04 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.307 -0.871 . . . . 0.0 109.772 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.618 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 5.7 m-30 -92.14 13.54 18.68 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.293 -0.879 . . . . 0.0 110.504 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.543 ' O ' ' CG ' ' A' ' 15' ' ' MET . 19.8 ptm -97.65 117.51 32.09 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.037 -1.039 . . . . 0.0 110.72 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 8.8 tttt -97.45 87.88 4.24 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.253 -0.904 . . . . 0.0 109.833 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 77.2 m-20 59.87 51.59 5.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.527 -0.733 . . . . 0.0 110.714 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.4 -15.84 60.35 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.501 ' C ' ' CD ' ' A' ' 19' ' ' LYS . 2.2 tmtm? -98.02 113.72 25.66 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.957 -1.319 . . . . 0.0 110.515 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.761 HD23 ' N ' ' A' ' 21' ' ' PHE . 2.2 tt -96.04 124.34 40.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.111 -0.993 . . . . 0.0 110.156 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.761 ' N ' HD23 ' A' ' 20' ' ' LEU . 3.8 p90 -103.48 73.58 1.21 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.148 -0.97 . . . . 0.0 109.959 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.607 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -47.28 -49.72 51.45 Favored Pre-proline 0 N--CA 1.493 1.703 0 O-C-N 121.51 -0.744 . . . . 0.0 111.46 -179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.4 Cg_exo -61.56 82.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.272 1.143 . . . . 0.0 110.822 -179.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.494 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 11.4 tt0 -126.02 -78.35 0.59 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.465 -0.772 . . . . 0.0 109.77 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.573 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 3.5 t70 -133.32 77.81 1.75 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.456 -0.777 . . . . 0.0 109.971 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 39.3 mttt -68.84 -2.21 9.0 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.357 -0.839 . . . . 0.0 110.851 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' LYS . 70.8 mmtt -41.79 -27.23 0.1 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.149 -0.969 . . . . 0.0 110.291 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 25.2 m-85 -50.15 -21.27 1.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.202 -0.936 . . . . 0.0 110.138 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.833 ' HB2' HD11 ' A' ' 38' ' ' ILE . 6.4 t80 -56.49 -16.46 5.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.277 -0.889 . . . . 0.0 110.11 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -66.15 -6.9 14.9 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.253 -0.904 . . . . 0.0 110.865 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.481 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 11.0 p -147.49 165.63 29.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.035 -1.04 . . . . 0.0 110.682 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' HA ' ' HB ' ' A' ' 35' ' ' ILE . 3.3 tt -66.31 -55.15 17.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.349 -0.844 . . . . 0.0 110.068 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -56.03 -41.94 75.74 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.34 -0.85 . . . . 0.0 109.053 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.537 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.87 -32.75 60.71 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 108.255 -1.938 . . . . 0.0 108.255 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.621 HD11 ' CG ' ' A' ' 29' ' ' PHE . 1.4 mm -66.25 -36.97 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.537 -0.979 . . . . 0.0 109.52 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' PHE . 64.1 mmm -48.15 -50.99 26.85 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.308 -0.87 . . . . 0.0 110.189 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.22 -48.17 12.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.113 -0.992 . . . . 0.0 109.426 -179.826 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.833 HD11 ' HB2' ' A' ' 29' ' ' PHE . 18.3 mt -52.04 -42.92 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.934 -1.104 . . . . 0.0 109.714 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -66.49 -27.49 67.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.463 -0.773 . . . . 0.0 109.975 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 44' ' ' CYS . 40.9 ttmt -96.28 -21.32 17.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.315 -0.866 . . . . 0.0 110.215 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 37' ' ' PHE . 6.1 t -53.86 -75.61 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.174 -0.954 . . . . 0.0 110.086 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.523 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -57.63 -30.52 65.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.403 -0.811 . . . . 0.0 110.305 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.444 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 95.3 m -79.04 -17.64 54.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.218 -0.927 . . . . 0.0 110.133 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 40' ' ' LYS . 10.6 t -92.37 -52.76 4.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.261 -0.899 . . . . 0.0 110.076 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.597 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -51.92 -24.64 6.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.144 -0.972 . . . . 0.0 109.761 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.542 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -78.32 -25.02 46.38 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.401 -0.812 . . . . 0.0 109.656 179.734 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.542 ' N ' ' HG3' ' A' ' 46' ' ' MET . 23.2 mm -63.85 -34.2 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.305 -0.872 . . . . 0.0 109.189 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.741 HD11 HD12 ' A' ' 20' ' ' LEU . 1.3 mt . . . . . 0 N--CA 1.488 1.459 0 O-C-N 121.438 -0.789 . . . . 0.0 109.448 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.595 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 45.1 m-85 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.123 0.487 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 15' ' ' MET . 49.1 tt0 -47.73 -38.21 14.88 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.036 -1.04 . . . . 0.0 109.345 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.28 -19.82 64.92 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.34 -0.85 . . . . 0.0 109.589 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.644 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 11.2 m-30 -89.22 15.38 9.02 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.286 -0.884 . . . . 0.0 110.364 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.56 ' O ' ' CG ' ' A' ' 15' ' ' MET . 13.7 ptt? -98.99 112.1 24.31 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.072 -1.017 . . . . 0.0 110.579 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 8.8 tttt -91.85 90.43 7.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.165 -0.959 . . . . 0.0 109.866 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 78.3 m-20 57.98 52.67 7.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.328 -0.857 . . . . 0.0 110.349 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.51 -13.45 58.15 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.438 ' HD3' ' C ' ' A' ' 19' ' ' LYS . 3.4 tmtm? -95.63 106.54 18.65 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.095 -1.238 . . . . 0.0 110.388 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.3 tt -85.72 115.49 23.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.249 -0.907 . . . . 0.0 110.194 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.644 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 24.5 p90 -101.73 64.16 0.97 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.072 -1.017 . . . . 0.0 109.885 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.6 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -50.07 -47.11 82.09 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.336 -0.852 . . . . 0.0 111.401 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -65.19 84.27 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.363 0 O-C-N 123.186 1.098 . . . . 0.0 111.067 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 22' ' ' CYS . 0.8 OUTLIER -126.82 -26.32 3.22 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.208 -0.932 . . . . 0.0 110.266 179.575 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.574 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 66.7 t0 -179.97 55.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.876 . . . . 0.0 109.639 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' O ' HD11 ' A' ' 38' ' ' ILE . 41.6 mttt -56.39 -13.51 2.29 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.333 -0.854 . . . . 0.0 110.926 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 99.6 mttt -42.15 -26.22 0.09 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.087 -1.008 . . . . 0.0 110.223 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 13.3 m-85 -48.53 -21.8 0.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.255 -0.903 . . . . 0.0 110.271 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.748 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 7.5 t80 -40.51 -26.31 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.297 -0.877 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' PHE . 18.4 pt20 -67.78 -4.55 12.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.096 -1.003 . . . . 0.0 110.694 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.4 t -133.09 148.47 52.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.008 -1.058 . . . . 0.0 110.342 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.9 tp -46.34 -52.13 13.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.268 -0.895 . . . . 0.0 110.105 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -52.19 -36.81 53.0 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.324 -0.86 . . . . 0.0 108.777 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.475 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -71.92 -51.2 15.54 Favored Glycine 0 N--CA 1.484 1.892 0 N-CA-C 108.078 -2.009 . . . . 0.0 108.078 178.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.748 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 1.6 mm -54.86 -32.15 25.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.243 -1.151 . . . . 0.0 108.915 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.457 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 19.3 mmm -78.98 -65.68 0.96 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.346 -0.846 . . . . 0.0 110.266 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.62 -47.42 14.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.074 -1.016 . . . . 0.0 109.18 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.634 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 6.2 mt -52.81 -39.74 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.948 -1.095 . . . . 0.0 109.417 178.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 89.6 m-20 -65.4 -41.02 94.08 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.406 -0.809 . . . . 0.0 109.624 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 52.8 mttt -83.86 -13.79 52.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.527 -0.733 . . . . 0.0 109.495 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.545 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 44.4 t -58.51 -67.42 0.36 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.369 -0.832 . . . . 0.0 110.171 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.84 -30.95 71.99 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.414 -0.804 . . . . 0.0 110.339 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.531 ' O ' ' CG ' ' A' ' 46' ' ' MET . 99.3 m -74.28 -46.16 43.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.243 -0.911 . . . . 0.0 110.033 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 40' ' ' LYS . 59.2 m -62.43 -24.07 67.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.21 -0.931 . . . . 0.0 109.776 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.496 ' HA ' HD13 ' A' ' 20' ' ' LEU . 23.2 tttt -69.13 -44.27 72.7 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -0.869 . . . . 0.0 110.14 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.531 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -63.12 -23.1 67.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.915 . . . . 0.0 110.095 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.531 ' N ' ' HG3' ' A' ' 46' ' ' MET . 19.3 mm -59.18 -41.48 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.341 -0.85 . . . . 0.0 109.788 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.692 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.344 -0.848 . . . . 0.0 109.883 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.682 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 66.1 m-85 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.085 0.469 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.479 ' O ' ' CG ' ' A' ' 15' ' ' MET . 40.3 tt0 -46.33 -47.74 18.44 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.08 -1.013 . . . . 0.0 109.302 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.5 -18.22 17.64 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.298 -0.876 . . . . 0.0 109.661 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.65 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 9.2 m-30 -89.82 16.37 8.19 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.278 -0.889 . . . . 0.0 110.397 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.537 ' O ' ' CG ' ' A' ' 15' ' ' MET . 7.0 ptt? -101.27 115.06 29.63 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.197 -0.94 . . . . 0.0 110.387 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' LYS . 81.3 tttt -93.8 80.69 4.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 110.149 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 15.1 t-20 64.76 57.33 1.06 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.271 -0.893 . . . . 0.0 110.414 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.73 -11.0 60.63 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.696 -1.361 . . . . 0.0 109.696 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' LYS . 7.4 tmtm? -96.5 113.32 24.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.237 -1.155 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.592 HD12 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -92.54 104.23 16.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.173 -0.955 . . . . 0.0 110.223 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.65 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 12.8 p90 -94.42 64.35 3.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.074 -1.016 . . . . 0.0 109.931 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.608 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -50.34 -47.25 83.46 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.416 -0.802 . . . . 0.0 111.538 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.608 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -61.58 82.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.315 -1.234 0 O-C-N 123.089 1.047 . . . . 0.0 110.705 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.517 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 20.3 tt0 -120.77 -86.13 0.65 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.43 -0.794 . . . . 0.0 109.845 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.586 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 9.3 t0 -127.6 76.34 1.67 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.338 -0.851 . . . . 0.0 109.952 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.607 ' O ' HD11 ' A' ' 38' ' ' ILE . 53.1 mttt -65.39 -5.21 6.95 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.182 -0.949 . . . . 0.0 110.893 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LYS . 62.7 mmtt -41.94 -26.51 0.09 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.114 -0.991 . . . . 0.0 110.4 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 42.6 m-85 -52.05 -19.64 2.0 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.118 -0.989 . . . . 0.0 110.027 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.593 ' CE1' HD11 ' A' ' 35' ' ' ILE . 7.7 t80 -49.39 -20.64 0.72 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.319 -0.863 . . . . 0.0 110.494 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -69.88 -2.31 11.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.17 -0.956 . . . . 0.0 110.717 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.0 m -136.31 158.17 45.06 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.051 -1.03 . . . . 0.0 110.377 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.39 -47.99 83.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.908 . . . . 0.0 110.005 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -56.68 -39.93 74.67 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.405 -0.809 . . . . 0.0 109.181 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.45 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.45 -46.23 56.77 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 108.253 -1.939 . . . . 0.0 108.253 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.593 HD11 ' CE1' ' A' ' 29' ' ' PHE . 3.6 mm -55.65 -36.72 43.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.354 -1.086 . . . . 0.0 109.113 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.463 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 7.0 mtt -70.18 -65.34 0.74 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.292 -0.88 . . . . 0.0 109.871 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.682 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -46.77 -52.03 14.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.181 -0.949 . . . . 0.0 108.841 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.607 HD11 ' O ' ' A' ' 26' ' ' LYS . 11.4 mt -48.78 -38.75 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.168 -0.958 . . . . 0.0 109.333 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 88.3 m-20 -69.7 -34.55 74.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.351 -0.843 . . . . 0.0 109.123 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -81.08 -15.07 57.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.591 -0.693 . . . . 0.0 109.47 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 11.3 t -63.05 -69.73 0.25 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.449 -0.782 . . . . 0.0 109.764 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.2 -30.45 17.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.565 -0.709 . . . . 0.0 110.036 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.545 ' O ' ' CG ' ' A' ' 46' ' ' MET . 87.1 m -78.62 -53.79 6.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.266 -0.896 . . . . 0.0 109.619 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.471 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 42.0 t -46.1 -33.9 3.82 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.244 -0.91 . . . . 0.0 109.524 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -60.74 -47.58 85.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.35 -0.844 . . . . 0.0 110.222 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.2 OUTLIER -61.24 -21.64 64.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.171 -0.955 . . . . 0.0 109.775 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.527 ' N ' ' HG3' ' A' ' 46' ' ' MET . 27.5 mm -69.4 -32.93 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.449 -0.782 . . . . 0.0 109.492 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.592 HD23 HD12 ' A' ' 20' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.416 -0.802 . . . . 0.0 109.963 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 11.5 m-85 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.18 0.514 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 15' ' ' MET . 50.6 tt0 -44.62 -43.61 8.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.096 -1.003 . . . . 0.0 109.848 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.31 -24.39 28.46 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.303 -0.873 . . . . 0.0 109.666 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.641 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 6.0 m-85 -91.26 17.0 8.86 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.394 -0.816 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.544 ' HA ' ' O ' ' A' ' 19' ' ' LYS . 20.8 ptm -94.79 131.05 41.06 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.062 -1.024 . . . . 0.0 110.372 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' LYS . 55.1 tttp -105.31 77.64 1.31 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.208 -0.932 . . . . 0.0 110.28 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 10.9 t-20 68.24 56.16 0.51 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.246 -0.909 . . . . 0.0 110.543 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.36 -28.65 7.94 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 15' ' ' MET . 1.3 tmtp? -87.02 151.38 23.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -1.149 . . . . 0.0 109.62 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.514 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 20.3 tp -124.83 118.64 26.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.234 -0.916 . . . . 0.0 110.299 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.641 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 7.0 p90 -97.58 67.64 2.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.189 -0.944 . . . . 0.0 109.846 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.62 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -47.93 -48.89 61.23 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.438 -0.789 . . . . 0.0 111.399 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.5 Cg_exo -61.12 82.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.314 -1.244 0 O-C-N 123.254 1.134 . . . . 0.0 110.738 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.534 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 10.6 tt0 -113.45 -78.31 0.58 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.476 -0.765 . . . . 0.0 109.755 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 36.7 m-20 -135.14 61.63 1.66 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.421 -0.799 . . . . 0.0 109.683 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.704 ' O ' HD11 ' A' ' 38' ' ' ILE . 62.0 mttt -53.5 -16.32 1.44 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.0 110.879 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' LYS . 80.4 mttt -41.69 -26.81 0.08 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.051 -1.031 . . . . 0.0 110.157 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 24.9 m-85 -51.0 -20.23 1.29 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.263 -0.898 . . . . 0.0 110.206 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CE1' HD11 ' A' ' 35' ' ' ILE . 13.7 t80 -44.22 -25.21 0.21 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.128 -0.982 . . . . 0.0 110.248 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' PHE . 15.8 mt-30 -69.1 -3.33 12.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.261 -0.899 . . . . 0.0 110.615 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.7 t -134.71 157.22 47.25 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.085 -1.009 . . . . 0.0 110.281 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.641 ' O ' HD13 ' A' ' 32' ' ' LEU . 1.8 tm? -56.53 -47.96 78.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.28 -0.888 . . . . 0.0 109.956 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -54.43 -39.28 67.2 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.369 -0.832 . . . . 0.0 108.888 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.474 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.73 -51.18 26.24 Favored Glycine 0 N--CA 1.484 1.873 0 N-CA-C 108.131 -1.988 . . . . 0.0 108.131 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.601 HD11 ' CE1' ' A' ' 29' ' ' PHE . 6.2 mm -53.49 -32.21 20.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 121.438 -1.037 . . . . 0.0 109.11 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.433 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -75.35 -66.09 0.81 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.297 -0.877 . . . . 0.0 109.98 179.496 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.637 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -50.08 -47.81 53.45 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.285 -0.884 . . . . 0.0 109.117 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 26' ' ' LYS . 7.5 mt -53.54 -36.48 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.908 -1.12 . . . . 0.0 108.966 178.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 36' ' ' MET . 1.1 m-80 -74.65 -28.96 61.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.529 -0.732 . . . . 0.0 109.532 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 44' ' ' CYS . 17.0 mttt -88.01 -25.78 22.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.355 -0.841 . . . . 0.0 109.784 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.55 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 2.5 t -42.61 -73.46 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.21 -0.931 . . . . 0.0 110.18 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.06 75.12 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.662 -0.649 . . . . 0.0 110.779 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.52 ' HB ' ' HA ' ' A' ' 40' ' ' LYS . 78.2 m -71.47 -22.5 61.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.245 -0.909 . . . . 0.0 110.296 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.549 ' N ' ' O ' ' A' ' 40' ' ' LYS . 5.2 t -89.04 -49.99 6.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.27 -0.894 . . . . 0.0 109.542 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.713 ' HA ' HD12 ' A' ' 48' ' ' LEU . 10.1 tttt -46.91 -43.48 18.97 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.36 -0.837 . . . . 0.0 109.167 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.555 ' SD ' HD13 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -61.41 -29.07 69.7 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.357 -0.839 . . . . 0.0 109.836 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.555 HD13 ' SD ' ' A' ' 46' ' ' MET . 26.6 mm -61.21 -37.2 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.3 -0.875 . . . . 0.0 109.583 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 45' ' ' LYS . 1.6 mt . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.468 -0.77 . . . . 0.0 109.91 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.604 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 57.9 m-85 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.12 0.486 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.465 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 17.2 tt0 -46.24 -43.72 15.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.142 -0.974 . . . . 0.0 109.489 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.26 -18.47 61.31 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.305 -0.872 . . . . 0.0 109.77 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.643 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 14.2 m-30 -89.32 16.52 7.3 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.153 -0.967 . . . . 0.0 110.33 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.545 ' O ' ' CG ' ' A' ' 15' ' ' MET . 16.5 ptm -103.02 116.48 32.6 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.153 -0.967 . . . . 0.0 110.41 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 19' ' ' LYS . 11.6 tttt -93.38 87.47 5.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.028 -1.045 . . . . 0.0 110.03 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 77.6 m-20 58.3 52.97 6.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.338 -0.851 . . . . 0.0 110.383 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.67 -14.76 62.08 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . 6.5 tmtm? -93.61 105.15 17.22 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.082 -1.246 . . . . 0.0 110.436 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' A' ' 45' ' ' LYS . 20.5 tp -86.36 111.0 20.07 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.186 -0.946 . . . . 0.0 110.097 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.643 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 7.9 p90 -99.07 69.44 1.74 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.062 -1.024 . . . . 0.0 110.153 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.623 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -49.55 -48.07 76.73 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.483 -0.761 . . . . 0.0 111.291 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.01 73.79 0.1 OUTLIER 'Trans proline' 0 C--N 1.315 -1.225 0 O-C-N 123.228 1.12 . . . . 0.0 110.883 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' CYS . 6.5 tt0 -109.55 -42.87 4.2 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.428 -0.795 . . . . 0.0 109.403 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.575 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 53.2 t0 -171.81 61.0 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.635 -0.665 . . . . 0.0 109.456 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HA ' HD11 ' A' ' 38' ' ' ILE . 83.9 mttt -55.22 -15.17 2.12 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.421 -0.8 . . . . 0.0 110.871 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 94.6 mttt -41.16 -27.58 0.07 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.309 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 14.7 m-85 -50.32 -26.86 5.3 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.247 -0.908 . . . . 0.0 109.923 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.716 ' CE1' HD13 ' A' ' 35' ' ' ILE . 50.9 t80 -42.98 -25.46 0.1 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.351 -0.843 . . . . 0.0 110.601 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 28' ' ' PHE . 47.7 mt-30 -65.67 -7.2 14.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.322 -0.861 . . . . 0.0 110.628 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.2 m -128.77 166.43 19.03 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.117 -0.989 . . . . 0.0 110.162 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.68 -54.64 42.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.253 -0.904 . . . . 0.0 110.173 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -52.85 -36.6 59.08 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.299 -0.876 . . . . 0.0 108.885 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.498 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -72.76 -45.72 33.49 Favored Glycine 0 N--CA 1.485 1.902 0 N-CA-C 108.135 -1.986 . . . . 0.0 108.135 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.716 HD13 ' CE1' ' A' ' 29' ' ' PHE . 2.0 mm -55.21 -34.54 33.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 121.222 -1.163 . . . . 0.0 108.981 179.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.453 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 5.6 mtp -75.84 -64.75 1.02 Allowed 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.176 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.639 ' CE1' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -46.45 -48.87 18.87 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.262 -0.899 . . . . 0.0 109.107 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.639 ' CD1' ' CE1' ' A' ' 37' ' ' PHE . 24.5 mm -49.21 -41.22 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.896 -1.128 . . . . 0.0 109.198 178.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 96.5 m-20 -68.71 -34.0 74.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.442 -0.786 . . . . 0.0 110.002 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 38.3 mttt -85.01 -25.69 27.54 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.329 -0.857 . . . . 0.0 110.017 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.537 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 6.7 t -47.04 -72.25 0.06 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -0.915 . . . . 0.0 109.963 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -55.92 -33.59 64.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.467 -0.771 . . . . 0.0 110.338 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.532 ' O ' ' CG ' ' A' ' 46' ' ' MET . 28.9 m -67.68 -58.2 5.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 110.112 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 65.8 m -48.78 -33.46 10.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.123 -0.986 . . . . 0.0 109.92 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.446 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 19.4 tttp -60.55 -47.47 86.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.306 -0.871 . . . . 0.0 110.109 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -63.78 -23.39 67.34 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.239 -0.913 . . . . 0.0 110.029 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.554 ' N ' ' HG3' ' A' ' 46' ' ' MET . 26.6 mm -63.35 -41.89 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.386 -0.821 . . . . 0.0 109.6 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.66 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.394 -0.816 . . . . 0.0 109.536 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.593 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 40.8 m-85 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.094 0.473 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.474 ' HG3' ' SD ' ' A' ' 15' ' ' MET . 56.6 tt0 -46.49 -42.31 15.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.161 -0.962 . . . . 0.0 110.044 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.54 -14.39 12.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.353 -0.842 . . . . 0.0 110.053 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.593 ' CD2' ' HA ' ' A' ' 11' ' ' PHE . 20.9 m-85 -96.44 19.9 11.41 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.253 -0.904 . . . . 0.0 110.546 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.474 ' SD ' ' HG3' ' A' ' 12' ' ' GLN . 94.3 mtp -94.39 96.07 9.28 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.193 -0.942 . . . . 0.0 110.15 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 74.0 tttt -79.93 97.46 6.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.426 -0.796 . . . . 0.0 110.223 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 15.1 t-20 61.05 59.0 2.12 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.251 -0.906 . . . . 0.0 110.139 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.1 18.91 63.15 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.506 -1.437 . . . . 0.0 109.506 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.2 tmtp? -126.92 114.08 17.39 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.215 -1.168 . . . . 0.0 110.049 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 21' ' ' PHE . 2.1 tt -83.63 116.23 22.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.244 -0.91 . . . . 0.0 110.469 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.608 ' N ' HD23 ' A' ' 20' ' ' LEU . 10.0 p90 -101.3 74.74 1.58 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.218 -0.926 . . . . 0.0 109.72 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.626 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 5.5 t -56.64 -42.76 97.93 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.351 -0.843 . . . . 0.0 111.684 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 2.8 Cg_endo -65.46 75.75 0.27 Allowed 'Trans proline' 0 C--N 1.316 -1.142 0 O-C-N 122.711 0.848 . . . . 0.0 111.069 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 22' ' ' CYS . 4.8 pt20 -119.98 -113.29 0.33 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.966 -1.084 . . . . 0.0 109.489 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.587 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 8.3 t0 -97.8 68.89 2.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.892 -1.13 . . . . 0.0 109.843 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.587 ' O ' HD11 ' A' ' 38' ' ' ILE . 86.5 mttt -64.6 -5.68 6.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -0.959 . . . . 0.0 110.953 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.456 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 91.4 mttt -41.64 -26.82 0.08 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.138 -0.976 . . . . 0.0 110.316 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 57.1 m-85 -44.78 -24.89 0.24 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.258 -0.901 . . . . 0.0 110.124 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.667 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 9.1 t80 -43.53 -24.0 0.09 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.324 -0.86 . . . . 0.0 110.831 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 28' ' ' PHE . 28.5 pt20 -69.16 -2.67 10.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.114 -0.992 . . . . 0.0 110.802 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.4 t -138.23 152.55 48.71 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.983 -1.073 . . . . 0.0 110.447 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tt -51.34 -47.52 62.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.209 -0.932 . . . . 0.0 110.011 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -54.85 -38.48 67.51 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.282 -0.886 . . . . 0.0 108.99 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.471 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -68.81 -53.42 19.7 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 108.215 -1.954 . . . . 0.0 108.215 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.667 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 3.3 mm -52.33 -30.98 14.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.242 -1.152 . . . . 0.0 108.973 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -75.26 -67.23 0.68 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.45 -0.781 . . . . 0.0 110.123 179.463 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -51.11 -45.69 61.64 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.262 -0.899 . . . . 0.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.634 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 6.5 mt -52.43 -34.52 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.828 -1.17 . . . . 0.0 109.191 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 36' ' ' MET . 0.9 OUTLIER -77.56 -35.69 52.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.437 -0.789 . . . . 0.0 109.59 179.382 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -76.5 -19.6 57.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.436 -0.79 . . . . 0.0 109.67 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.494 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -54.33 -66.03 0.47 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.372 -0.83 . . . . 0.0 109.94 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.14 -33.09 67.04 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.372 -0.83 . . . . 0.0 109.807 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.531 ' O ' ' CG ' ' A' ' 46' ' ' MET . 97.5 m -68.3 -55.57 11.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.388 -0.82 . . . . 0.0 110.226 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.405 ' HA ' HG12 ' A' ' 47' ' ' ILE . 85.3 m -62.22 -27.35 68.92 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.146 -0.971 . . . . 0.0 110.332 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -64.2 -50.23 68.89 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.233 -0.917 . . . . 0.0 110.373 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.54 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -59.35 -25.75 64.48 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.139 -0.976 . . . . 0.0 110.036 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.54 ' N ' ' HG3' ' A' ' 46' ' ' MET . 20.6 mm -57.76 -41.64 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.288 -0.883 . . . . 0.0 109.564 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.666 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.1 mm? . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.344 -0.847 . . . . 0.0 109.516 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.592 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 27.1 m-85 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.129 0.49 . . . . 0.0 110.462 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.448 ' O ' ' HG2' ' A' ' 15' ' ' MET . 57.8 tt0 -44.18 -47.53 9.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.133 -0.98 . . . . 0.0 110.2 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.75 -17.48 15.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.277 -0.889 . . . . 0.0 110.077 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.629 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 16.9 m-30 -90.25 13.37 15.45 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.363 -0.836 . . . . 0.0 110.511 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.541 ' HA ' ' O ' ' A' ' 19' ' ' LYS . 17.1 ptm -101.48 119.19 38.39 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.912 -1.117 . . . . 0.0 110.708 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 19' ' ' LYS . 48.6 tptt -97.33 84.96 3.55 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.209 -0.932 . . . . 0.0 109.87 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 84.3 m-20 58.85 54.73 4.97 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.459 -0.775 . . . . 0.0 110.673 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.24 -15.15 60.49 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' A' ' 15' ' ' MET . 3.9 tmtm? -94.72 128.52 41.46 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.096 -1.237 . . . . 0.0 110.183 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.526 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 28.0 tp -108.85 116.16 31.46 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.117 -0.99 . . . . 0.0 110.277 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.629 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 29.6 p90 -103.49 69.56 1.0 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.1 -1.0 . . . . 0.0 110.175 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.616 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -55.72 -47.63 98.29 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.429 -0.795 . . . . 0.0 111.573 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.41 83.98 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.22 0 O-C-N 123.224 1.118 . . . . 0.0 111.084 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.505 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 12.6 tt0 -125.97 -78.72 0.59 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.424 -0.797 . . . . 0.0 109.774 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.583 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 13.7 t0 -135.4 76.78 1.64 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.428 -0.795 . . . . 0.0 109.808 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.474 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 51.1 mttt -69.65 -2.52 11.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.277 -0.889 . . . . 0.0 110.799 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' LYS . 58.9 mmtt -42.15 -27.81 0.15 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.186 -0.946 . . . . 0.0 110.132 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.583 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 25.4 m-85 -46.74 -23.52 0.43 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.258 -0.902 . . . . 0.0 110.168 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 13.0 t80 -49.76 -19.49 0.65 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.11 -0.993 . . . . 0.0 110.588 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -63.49 -8.88 10.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.145 -0.972 . . . . 0.0 110.581 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.5 m -141.94 163.21 33.5 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.033 -1.042 . . . . 0.0 110.705 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.55 -55.32 34.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.345 -0.847 . . . . 0.0 110.355 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -52.25 -38.48 58.26 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.318 -0.864 . . . . 0.0 108.794 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.56 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.15 -42.65 50.26 Favored Glycine 0 N--CA 1.483 1.8 0 N-CA-C 108.204 -1.959 . . . . 0.0 108.204 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.514 ' CD1' ' CD2' ' A' ' 29' ' ' PHE . 3.8 mm -56.98 -33.73 42.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.425 -1.044 . . . . 0.0 109.482 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' PHE . 51.6 mmm -60.02 -60.08 4.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.161 -0.962 . . . . 0.0 110.243 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.34 -52.72 5.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.222 -0.924 . . . . 0.0 109.375 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.643 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 8.0 mt -52.33 -37.93 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.886 -1.134 . . . . 0.0 109.769 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 36' ' ' MET . 8.3 m120 -71.86 -26.53 62.4 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.37 -0.831 . . . . 0.0 109.924 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 44' ' ' CYS . 11.7 mttt -97.24 -18.23 19.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 109.778 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.545 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 10.3 t -50.62 -74.57 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.379 -0.826 . . . . 0.0 110.191 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.57 -28.78 69.87 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.465 -0.772 . . . . 0.0 110.269 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' CG ' ' A' ' 46' ' ' MET . 97.4 m -76.56 -17.79 59.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.935 . . . . 0.0 109.928 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.54 ' HA ' HG12 ' A' ' 47' ' ' ILE . 35.9 t -87.67 -45.5 10.33 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.407 -0.808 . . . . 0.0 109.653 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.508 ' HG3' ' N ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -56.59 -25.47 52.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.324 -0.86 . . . . 0.0 109.575 179.548 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.526 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.8 OUTLIER -79.11 -23.59 43.97 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.402 -0.811 . . . . 0.0 109.383 179.63 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.54 HG12 ' HA ' ' A' ' 44' ' ' CYS . 29.0 mm -63.5 -45.44 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.395 -0.816 . . . . 0.0 109.323 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 45' ' ' LYS . 1.1 mt . . . . . 0 N--CA 1.488 1.475 0 O-C-N 121.463 -0.773 . . . . 0.0 109.739 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.699 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 65.9 m-85 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.128 0.49 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 15' ' ' MET . 24.9 tt0 -44.98 -36.37 3.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.107 -0.996 . . . . 0.0 110.012 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.71 -21.89 66.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.192 -0.943 . . . . 0.0 110.014 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.585 ' CD2' ' HA ' ' A' ' 11' ' ' PHE . 5.9 m-30 -92.14 18.27 8.35 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.247 -0.908 . . . . 0.0 110.351 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.537 ' O ' ' CG ' ' A' ' 15' ' ' MET . 20.9 ptm -96.96 117.1 30.4 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.082 -1.011 . . . . 0.0 110.356 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 11.3 tttt -95.74 92.39 6.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.195 -0.941 . . . . 0.0 109.971 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 78.1 m-20 58.12 51.31 8.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.396 -0.815 . . . . 0.0 110.253 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.24 -14.46 49.94 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.461 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -94.58 106.13 18.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.153 -1.204 . . . . 0.0 110.34 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.926 HD23 ' HA ' ' A' ' 45' ' ' LYS . 57.3 tp -91.17 120.78 32.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.171 -0.956 . . . . 0.0 110.261 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.579 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 6.3 p90 -96.18 86.03 4.15 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.227 -0.921 . . . . 0.0 109.778 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 43.1 t -57.51 -41.98 93.4 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.438 -0.789 . . . . 0.0 112.025 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -63.19 72.7 0.13 Allowed 'Trans proline' 0 C--N 1.318 -1.056 0 O-C-N 122.729 0.857 . . . . 0.0 110.767 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.524 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 19.9 tt0 -105.38 -91.18 0.4 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.355 -0.841 . . . . 0.0 109.789 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.593 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 60.1 t0 -138.97 74.91 1.49 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.835 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.731 ' O ' HD11 ' A' ' 38' ' ' ILE . 79.1 mttt -60.44 -8.77 2.93 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.167 -0.958 . . . . 0.0 111.092 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' LYS . 64.7 mmtt -41.05 -27.43 0.06 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.009 -1.057 . . . . 0.0 110.604 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 23.0 m-85 -59.05 -14.41 9.64 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.197 -0.939 . . . . 0.0 110.07 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.616 ' CE1' HD11 ' A' ' 35' ' ' ILE . 12.7 t80 -51.87 -19.89 1.97 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.284 -0.885 . . . . 0.0 110.274 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.53 -0.96 14.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.324 -0.86 . . . . 0.0 110.608 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.1 m -133.99 149.58 51.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.167 -0.958 . . . . 0.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -52.8 -47.86 67.31 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 0.0 110.126 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -57.29 -43.28 83.02 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.316 -0.865 . . . . 0.0 108.953 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.47 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.13 -41.07 82.03 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 108.261 -1.936 . . . . 0.0 108.261 178.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.616 HD11 ' CE1' ' A' ' 29' ' ' PHE . 1.8 mm -57.5 -37.77 59.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.371 -1.076 . . . . 0.0 109.175 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.458 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 10.0 mtp -75.17 -62.53 1.52 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.346 -0.846 . . . . 0.0 110.292 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.699 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -46.95 -50.18 19.38 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.142 -0.973 . . . . 0.0 109.229 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.731 HD11 ' O ' ' A' ' 26' ' ' LYS . 5.9 mt -51.43 -39.21 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.069 -1.02 . . . . 0.0 109.196 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 36' ' ' MET . 8.2 m120 -66.84 -34.82 78.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.345 -0.847 . . . . 0.0 109.283 179.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 44' ' ' CYS . 10.6 mttt -69.94 -37.73 75.96 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.441 -0.787 . . . . 0.0 110.176 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.575 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 3.1 t -41.52 -67.4 0.26 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.262 -0.899 . . . . 0.0 110.347 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.501 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -53.54 -33.36 54.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.235 -0.916 . . . . 0.0 110.318 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.508 ' O ' ' CG ' ' A' ' 46' ' ' MET . 24.2 m -79.99 -23.85 41.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.231 -0.918 . . . . 0.0 110.209 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.519 ' HA ' HG12 ' A' ' 47' ' ' ILE . 72.7 m -86.19 -50.87 6.66 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.294 -0.879 . . . . 0.0 109.969 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.926 ' HA ' HD23 ' A' ' 20' ' ' LEU . 5.5 ptpt -50.75 -26.79 6.04 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.295 -0.878 . . . . 0.0 110.115 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.527 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 1.3 ppp? -79.05 -24.46 43.55 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.227 -0.921 . . . . 0.0 109.949 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.519 HG12 ' HA ' ' A' ' 44' ' ' CYS . 25.2 mm -62.99 -37.48 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.406 -0.809 . . . . 0.0 109.53 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.668 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.477 -0.765 . . . . 0.0 109.66 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.703 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 64.3 m-85 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.166 0.508 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.49 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 35.3 tt0 -45.46 -44.39 12.26 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.072 -1.017 . . . . 0.0 109.802 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.68 -18.09 18.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.278 -0.889 . . . . 0.0 109.903 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.62 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 9.9 m-85 -98.26 21.36 11.05 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.311 -0.868 . . . . 0.0 110.551 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.526 ' O ' ' CG ' ' A' ' 15' ' ' MET . 16.1 ptm -95.7 103.37 15.24 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.16 -0.963 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' LYS . 11.9 tttt -83.66 95.1 8.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.101 -1.0 . . . . 0.0 110.097 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 73.0 m-80 57.33 54.69 6.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.337 -0.852 . . . . 0.0 110.194 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.55 -2.48 62.85 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' LYS . 6.6 tmtt? -105.32 105.89 16.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.175 -1.191 . . . . 0.0 110.189 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.901 HD23 ' HA ' ' A' ' 45' ' ' LYS . 15.6 tp -85.36 117.4 24.26 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.292 -0.88 . . . . 0.0 110.16 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.62 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 9.3 p90 -95.58 86.68 4.51 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.178 -0.951 . . . . 0.0 109.627 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.611 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 30.5 t -55.9 -42.64 97.13 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.493 -0.754 . . . . 0.0 111.992 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.2 Cg_exo -62.28 82.0 0.1 OUTLIER 'Trans proline' 0 C--N 1.319 -1.004 0 O-C-N 122.656 0.819 . . . . 0.0 110.808 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.531 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 21.2 tt0 -115.54 -91.26 0.53 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.331 -0.856 . . . . 0.0 109.777 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.595 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 52.5 t0 -134.96 67.69 1.49 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.204 -0.935 . . . . 0.0 109.658 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.814 ' O ' HD11 ' A' ' 38' ' ' ILE . 75.8 mttt -53.22 -13.49 0.53 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.323 -0.861 . . . . 0.0 111.359 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' LYS . 71.0 mmtt -39.83 -27.54 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.114 -0.991 . . . . 0.0 110.628 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 50.5 m-85 -53.1 -19.92 3.28 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.132 -0.98 . . . . 0.0 109.681 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CE1' HD11 ' A' ' 35' ' ' ILE . 6.4 t80 -47.72 -22.2 0.49 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.414 -0.804 . . . . 0.0 110.31 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -68.5 -4.26 14.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -0.901 . . . . 0.0 110.544 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.6 p -135.99 153.38 51.4 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.12 -0.988 . . . . 0.0 110.344 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.647 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.8 tm? -53.56 -52.13 60.73 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.278 -0.889 . . . . 0.0 110.085 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -53.26 -38.2 62.82 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.396 -0.815 . . . . 0.0 108.973 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.461 ' HA3' ' O ' ' A' ' 28' ' ' PHE . . . -71.94 -46.27 37.78 Favored Glycine 0 N--CA 1.486 2.003 0 N-CA-C 108.114 -1.994 . . . . 0.0 108.114 178.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.619 HD11 ' CE1' ' A' ' 29' ' ' PHE . 2.2 mm -56.45 -34.56 41.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.299 -1.118 . . . . 0.0 109.116 179.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.458 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 6.2 mmm -74.98 -64.36 1.07 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.286 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.703 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -47.87 -48.71 31.09 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.097 -1.002 . . . . 0.0 109.187 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.814 HD11 ' O ' ' A' ' 26' ' ' LYS . 5.0 mt -51.45 -38.85 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.037 -1.039 . . . . 0.0 109.184 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 91.8 m-20 -67.91 -37.37 81.63 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.399 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' CYS . 38.6 mttt -70.54 -31.17 68.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.511 -0.743 . . . . 0.0 109.781 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.567 ' SG ' ' CE1' ' A' ' 11' ' ' PHE . 1.6 t -43.46 -66.55 0.36 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.173 -0.954 . . . . 0.0 110.153 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.35 64.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.282 -0.886 . . . . 0.0 110.097 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.537 ' O ' ' CG ' ' A' ' 46' ' ' MET . 88.8 m -69.76 -56.05 8.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.242 -0.911 . . . . 0.0 110.106 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.51 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 49.1 m -56.66 -36.35 69.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.272 -0.892 . . . . 0.0 110.125 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.901 ' HA ' HD23 ' A' ' 20' ' ' LEU . 20.1 ttmt -55.15 -45.9 75.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -0.891 . . . . 0.0 110.445 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.548 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.01 -22.78 64.97 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.145 -0.972 . . . . 0.0 110.298 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.548 ' N ' ' HG3' ' A' ' 46' ' ' MET . 38.8 mm -59.36 -37.35 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.208 -0.932 . . . . 0.0 109.834 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.757 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.4 mm? . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.844 . . . . 0.0 109.819 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.609 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 37.1 m-85 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.152 0.501 . . . . 0.0 110.433 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.547 ' HG3' ' CE ' ' A' ' 15' ' ' MET . 50.0 tt0 -45.23 -43.74 10.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.107 -0.995 . . . . 0.0 109.82 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.52 -19.49 48.61 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.366 -0.834 . . . . 0.0 109.907 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.643 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 15.9 m-30 -87.65 15.03 7.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.244 -0.91 . . . . 0.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.547 ' CE ' ' HG3' ' A' ' 12' ' ' GLN . 21.2 mtm -91.11 107.43 19.2 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.157 -0.964 . . . . 0.0 110.369 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.593 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 54.1 tttm -91.88 103.18 15.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.477 -0.765 . . . . 0.0 109.98 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 52.84 55.41 9.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.198 -0.939 . . . . 0.0 109.948 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.03 21.01 73.33 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 12.7 tmtt? -131.18 99.57 4.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.23 -1.159 . . . . 0.0 110.221 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.791 HD23 ' N ' ' A' ' 21' ' ' PHE . 4.0 tt -69.44 125.88 28.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.176 -0.952 . . . . 0.0 110.183 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.791 ' N ' HD23 ' A' ' 20' ' ' LEU . 6.7 p90 -107.83 81.28 1.48 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.161 -0.962 . . . . 0.0 110.251 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 7.9 t -54.01 -43.5 96.89 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.37 -0.832 . . . . 0.0 111.496 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.2 Cg_exo -63.03 75.29 0.12 Allowed 'Trans proline' 0 C--N 1.319 -1.021 0 O-C-N 122.778 0.883 . . . . 0.0 110.527 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.503 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 17.1 tt0 -120.22 -85.71 0.65 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.391 -0.818 . . . . 0.0 110.021 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.591 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 11.0 t0 -132.11 69.21 1.48 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.276 -0.89 . . . . 0.0 110.087 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 28' ' ' PHE . 66.4 mttt -66.21 -4.97 8.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.226 -0.921 . . . . 0.0 110.717 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 26' ' ' LYS . 43.4 mttm -40.56 -27.85 0.06 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.219 -0.925 . . . . 0.0 110.282 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 19.8 m-85 -49.84 -21.26 1.08 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.285 -0.884 . . . . 0.0 110.07 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 9.0 t80 -51.2 -19.03 1.05 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.271 -0.893 . . . . 0.0 110.619 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -67.29 -5.64 15.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.185 -0.947 . . . . 0.0 110.778 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.5 m -144.44 161.3 39.38 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.008 -1.057 . . . . 0.0 110.615 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.511 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.1 tm? -60.94 -58.04 10.1 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.334 -0.854 . . . . 0.0 110.055 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 36' ' ' MET . 59.4 m-20 -48.92 -37.28 19.44 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.57 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.89 -45.07 34.94 Favored Glycine 0 N--CA 1.482 1.745 0 N-CA-C 108.096 -2.002 . . . . 0.0 108.096 178.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' A' ' 35' ' ' ILE . 6.7 mm -56.05 -32.03 32.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.349 -1.089 . . . . 0.0 109.281 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.456 ' HB2' ' O ' ' A' ' 33' ' ' ASP . 3.2 mtt -57.64 -60.97 2.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.291 -0.881 . . . . 0.0 110.312 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.99 -52.06 12.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.167 -0.958 . . . . 0.0 109.531 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.642 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 10.6 mt -51.17 -34.59 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.759 -1.213 . . . . 0.0 109.728 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 82.7 m-20 -82.64 -19.65 37.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.422 -0.799 . . . . 0.0 110.127 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' CYS . 61.2 tttp -90.52 -28.78 18.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.253 -0.904 . . . . 0.0 110.703 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.571 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 5.7 t -58.63 -74.17 0.07 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.107 -0.996 . . . . 0.0 110.584 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.3 -34.95 1.32 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.02 -1.05 . . . . 0.0 110.094 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.492 ' O ' ' HG3' ' A' ' 46' ' ' MET . 98.4 m -79.59 -24.73 41.82 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.874 . . . . 0.0 109.516 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.535 ' HA ' HG12 ' A' ' 47' ' ' ILE . 10.1 t -85.16 -43.51 13.77 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.48 -0.763 . . . . 0.0 109.547 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.551 ' HA ' HD12 ' A' ' 48' ' ' LEU . 27.8 tttt -51.91 -45.09 64.11 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.318 -0.864 . . . . 0.0 109.867 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.492 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.5 OUTLIER -60.34 -26.83 66.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.261 -0.899 . . . . 0.0 109.931 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.535 HG12 ' HA ' ' A' ' 44' ' ' CYS . 24.4 mm -57.49 -36.98 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.24 -0.912 . . . . 0.0 109.517 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 45' ' ' LYS . 1.2 mt . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.385 -0.822 . . . . 0.0 109.822 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.689 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 62.8 m-85 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.055 0.455 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.497 ' O ' ' CG ' ' A' ' 15' ' ' MET . 40.2 tt0 -46.59 -48.34 19.66 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.058 -1.026 . . . . 0.0 109.053 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.94 -19.64 13.02 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.309 -0.87 . . . . 0.0 109.455 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.618 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 14.1 m-30 -89.4 12.9 14.99 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.265 -0.897 . . . . 0.0 110.405 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.545 ' O ' ' CG ' ' A' ' 15' ' ' MET . 14.0 ptm -92.76 103.92 16.24 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.055 -1.028 . . . . 0.0 110.381 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 19' ' ' LYS . 11.9 ttmt -87.3 91.96 8.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.117 -0.99 . . . . 0.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 76.0 m-20 57.67 53.15 7.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.29 -0.881 . . . . 0.0 110.178 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.49 -3.38 85.15 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . 6.6 tmtm? -101.35 102.76 13.66 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.126 -1.22 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.737 HD12 HD11 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -89.83 103.99 16.59 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.252 -0.905 . . . . 0.0 110.073 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 8.0 p90 -87.54 69.21 9.76 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.139 -0.976 . . . . 0.0 110.01 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.622 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -45.11 -50.26 27.97 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.434 -0.791 . . . . 0.0 111.493 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.7 Cg_exo -59.2 78.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.315 -1.227 0 O-C-N 123.165 1.087 . . . . 0.0 110.809 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.508 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 9.3 tt0 -105.94 -89.29 0.43 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.543 -0.723 . . . . 0.0 109.488 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.58 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 41.6 t0 -130.6 70.14 1.45 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.292 -0.88 . . . . 0.0 109.532 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.635 ' O ' HD11 ' A' ' 38' ' ' ILE . 25.4 mttt -54.98 -14.39 1.47 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.341 -0.85 . . . . 0.0 111.019 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' LYS . 27.1 mmtp -41.42 -26.84 0.07 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.102 -0.998 . . . . 0.0 110.289 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 31.2 m-85 -54.12 -18.25 3.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.145 -0.972 . . . . 0.0 110.002 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.726 ' CE1' HD11 ' A' ' 35' ' ' ILE . 20.7 t80 -49.42 -20.83 0.77 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.229 -0.919 . . . . 0.0 110.448 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -70.21 -1.97 11.82 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.209 -0.932 . . . . 0.0 110.701 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.4 m -136.41 149.12 48.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.128 -0.982 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.571 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -52.08 -47.01 65.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.25 -0.906 . . . . 0.0 110.123 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -56.93 -41.65 78.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.375 -0.828 . . . . 0.0 109.119 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.466 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -68.51 -45.69 66.41 Favored Glycine 0 N--CA 1.485 1.944 0 N-CA-C 108.273 -1.931 . . . . 0.0 108.273 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.726 HD11 ' CE1' ' A' ' 29' ' ' PHE . 4.8 mm -55.38 -36.72 41.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 121.373 -1.075 . . . . 0.0 109.157 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.453 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 2.6 mtt -69.21 -65.41 0.71 Allowed 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.93 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.689 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -48.29 -51.14 27.19 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 119.444 -0.902 . . . . 0.0 108.934 179.753 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.635 HD11 ' O ' ' A' ' 26' ' ' LYS . 8.1 mt -48.7 -37.67 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.152 -0.968 . . . . 0.0 109.192 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 36' ' ' MET . 2.9 m120 -73.17 -31.18 64.07 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.437 -0.789 . . . . 0.0 109.152 179.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' CYS . 18.9 mttt -77.33 -30.98 54.23 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.469 -0.769 . . . . 0.0 109.364 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.581 ' CA ' ' CZ ' ' A' ' 11' ' ' PHE . 2.2 t -41.09 -72.7 0.06 Allowed 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.556 0.693 . . . . 0.0 109.949 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.65 -32.47 59.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.609 -0.682 . . . . 0.0 110.391 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.526 ' O ' ' CG ' ' A' ' 46' ' ' MET . 25.5 m -69.08 -58.72 3.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.187 -0.946 . . . . 0.0 110.106 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.519 ' O ' HD12 ' A' ' 48' ' ' LEU . 10.6 t -49.56 -37.12 25.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.218 -0.926 . . . . 0.0 110.197 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HA ' HD12 ' A' ' 48' ' ' LEU . 37.8 tttt -57.78 -46.9 83.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.342 -0.848 . . . . 0.0 110.49 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.581 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -66.98 -24.64 66.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.1 -1.0 . . . . 0.0 110.238 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.581 ' N ' ' HG3' ' A' ' 46' ' ' MET . 17.9 mm -63.15 -37.13 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.241 -0.912 . . . . 0.0 109.34 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.737 HD11 HD12 ' A' ' 20' ' ' LEU . 1.1 mt . . . . . 0 C--N 1.304 -1.393 0 O-C-N 121.514 -0.741 . . . . 0.0 109.631 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.591 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 79.7 m-85 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.152 0.501 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.532 ' O ' ' HE2' ' A' ' 15' ' ' MET . 29.9 tt0 -44.65 -45.82 9.85 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.208 -0.933 . . . . 0.0 109.881 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.49 -19.55 57.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.291 -0.881 . . . . 0.0 110.042 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 11' ' ' PHE . 17.0 m-30 -88.66 15.18 8.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.204 -0.935 . . . . 0.0 110.455 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.532 ' HE2' ' O ' ' A' ' 12' ' ' GLN . 23.3 mtm -86.11 128.41 34.87 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.119 -0.988 . . . . 0.0 110.426 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -112.09 99.65 8.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.473 -0.767 . . . . 0.0 110.052 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 52.67 52.11 14.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.241 -0.912 . . . . 0.0 110.005 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.49 18.34 79.87 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.431 ' HD2' ' C ' ' A' ' 19' ' ' LYS . 3.4 tmmm? -128.13 99.97 5.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.209 -1.171 . . . . 0.0 110.224 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.955 HD12 ' HA ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -81.83 115.93 21.27 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.304 -0.872 . . . . 0.0 109.979 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.625 ' N ' HD22 ' A' ' 20' ' ' LEU . 9.5 p90 -94.42 86.07 4.76 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.166 -0.959 . . . . 0.0 109.999 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.633 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 2.1 t -57.64 -42.84 97.71 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.359 -0.838 . . . . 0.0 111.528 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 2.7 Cg_endo -66.08 82.75 0.26 Allowed 'Trans proline' 0 C--N 1.315 -1.23 0 O-C-N 122.805 0.898 . . . . 0.0 111.132 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.53 ' OE1' ' CD2' ' A' ' 14' ' ' PHE . 4.2 pt20 -128.96 -110.44 0.27 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.106 -0.996 . . . . 0.0 109.711 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.575 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 39.1 m-20 -90.5 67.64 6.58 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.801 -1.187 . . . . 0.0 110.007 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 4.2 mtmp? -65.19 -5.62 7.32 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.191 -0.943 . . . . 0.0 111.055 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' LYS . 63.5 mmtt -44.33 -25.22 0.22 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.007 -1.058 . . . . 0.0 110.064 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.575 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 21.6 m-85 -48.15 -22.24 0.61 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.277 -0.89 . . . . 0.0 110.275 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 14.5 t80 -55.75 -15.91 3.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.227 -0.921 . . . . 0.0 110.56 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -68.33 -7.65 33.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.156 -0.965 . . . . 0.0 110.825 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.47 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 16.7 t -148.0 164.13 34.73 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.027 -1.045 . . . . 0.0 110.602 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.595 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.8 tm? -68.06 -53.84 22.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.294 -0.879 . . . . 0.0 110.149 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 36' ' ' MET . 55.8 t0 -54.79 -41.54 70.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.289 -0.882 . . . . 0.0 108.81 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.53 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.09 -37.49 60.0 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 107.785 -2.126 . . . . 0.0 107.785 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.588 HD13 HD12 ' A' ' 38' ' ' ILE . 1.7 mm -60.12 -39.54 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.571 -0.958 . . . . 0.0 109.441 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.452 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 68.2 mmm -43.38 -51.02 6.69 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.343 -0.848 . . . . 0.0 110.199 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -47.12 -47.31 23.35 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.184 -0.948 . . . . 0.0 109.566 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.636 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 8.9 mt -52.09 -39.21 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.766 -1.209 . . . . 0.0 109.78 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 36' ' ' MET . 96.7 m-20 -65.0 -39.23 93.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.358 -0.839 . . . . 0.0 109.843 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 44' ' ' CYS . 17.2 mttt -84.78 -22.47 29.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.442 -0.786 . . . . 0.0 110.022 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.489 ' SG ' ' CE1' ' A' ' 11' ' ' PHE . 1.2 t -60.21 -60.13 4.3 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.279 -0.888 . . . . 0.0 110.072 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -63.56 -31.52 72.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.299 -0.875 . . . . 0.0 110.236 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.522 ' O ' ' CG ' ' A' ' 46' ' ' MET . 91.5 m -79.71 -27.54 40.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.185 -0.947 . . . . 0.0 110.178 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.538 ' HA ' HG12 ' A' ' 47' ' ' ILE . 15.7 t -88.51 -46.45 9.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.235 -0.915 . . . . 0.0 110.19 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.955 ' HA ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -53.67 -26.9 24.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.209 -0.932 . . . . 0.0 110.216 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.522 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -77.52 -24.43 49.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.324 -0.86 . . . . 0.0 109.69 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.538 HG12 ' HA ' ' A' ' 44' ' ' CYS . 16.8 mm -64.51 -24.87 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.362 -0.836 . . . . 0.0 109.619 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.73 HD22 ' N ' ' A' ' 48' ' ' LEU . 2.6 mm? . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.331 -0.856 . . . . 0.0 109.645 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.596 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 69.4 m-85 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.257 0.551 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 15' ' ' MET . 14.2 tt0 -48.29 -37.96 17.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.052 -1.03 . . . . 0.0 109.596 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.55 -15.5 63.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.337 -0.852 . . . . 0.0 109.538 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 11' ' ' PHE . 14.8 m-30 -85.09 15.07 4.36 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.358 -0.839 . . . . 0.0 110.042 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 82.4 mtp -85.93 89.13 7.7 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.164 -0.96 . . . . 0.0 110.028 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 19' ' ' LYS . 76.4 tttt -79.97 103.33 9.78 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.413 -0.804 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 55.14 59.1 4.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.194 -0.941 . . . . 0.0 109.847 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.96 21.66 63.8 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 11.1 tmtt? -126.09 96.01 4.59 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.334 -1.098 . . . . 0.0 110.16 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 45' ' ' LYS . 8.0 tp -73.59 108.84 6.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.23 -0.918 . . . . 0.0 110.068 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 14' ' ' PHE . 27.8 p90 -96.06 76.3 3.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.172 -0.955 . . . . 0.0 110.06 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.611 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -58.23 -47.42 98.85 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.371 -0.831 . . . . 0.0 111.506 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.61 83.86 0.11 Allowed 'Trans proline' 0 C--N 1.314 -1.259 0 O-C-N 123.247 1.13 . . . . 0.0 110.973 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.506 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 14.5 tt0 -124.29 -78.76 0.6 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.459 -0.776 . . . . 0.0 109.878 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.585 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 26.5 t0 -129.73 74.14 1.57 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.441 -0.787 . . . . 0.0 109.926 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 16.6 mttt -66.38 -5.22 10.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.187 -0.946 . . . . 0.0 110.774 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LYS . 44.4 mttp -42.53 -26.56 0.12 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.056 -1.028 . . . . 0.0 110.215 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 21.5 m-85 -53.11 -18.85 2.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -0.878 . . . . 0.0 110.114 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.703 ' HB2' HD11 ' A' ' 38' ' ' ILE . 3.5 t80 -55.87 -18.06 7.92 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.298 -0.877 . . . . 0.0 110.534 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -63.67 -12.58 35.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.141 -0.974 . . . . 0.0 110.81 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.468 ' O ' ' HB ' ' A' ' 35' ' ' ILE . 13.6 t -133.51 154.09 51.11 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.043 -1.036 . . . . 0.0 110.672 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.741 HD23 ' O ' ' A' ' 32' ' ' LEU . 1.3 tt -61.4 -32.51 72.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.279 -0.888 . . . . 0.0 109.967 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -82.88 -40.11 20.67 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.393 -0.817 . . . . 0.0 109.701 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.561 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -73.16 -33.17 59.54 Favored Glycine 0 N--CA 1.486 1.973 0 N-CA-C 108.631 -1.788 . . . . 0.0 108.631 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.61 HG13 ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -74.11 -41.72 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.412 -1.052 . . . . 0.0 109.373 179.254 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.546 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 13.5 mtp -40.67 -40.88 1.39 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.914 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.636 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -50.27 -41.61 50.78 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.945 179.586 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.703 HD11 ' HB2' ' A' ' 29' ' ' PHE . 29.7 mt -53.71 -46.19 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.956 -1.09 . . . . 0.0 109.233 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -59.14 -33.59 71.07 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.638 -0.663 . . . . 0.0 109.921 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 41.7 mttt -90.61 -24.97 20.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.379 -0.826 . . . . 0.0 109.937 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.484 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 7.3 t -50.22 -75.34 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.287 -0.883 . . . . 0.0 110.192 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -52.76 -38.71 61.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.353 -0.842 . . . . 0.0 110.166 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.524 ' O ' ' CG ' ' A' ' 46' ' ' MET . 11.0 m -62.29 -59.64 4.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.211 -0.931 . . . . 0.0 109.957 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.478 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 94.5 m -44.11 -42.89 6.59 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.161 -0.962 . . . . 0.0 109.855 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 27.2 tttt -52.5 -44.54 65.74 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.287 -0.883 . . . . 0.0 110.198 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.573 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -72.83 -23.32 60.75 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.077 -1.015 . . . . 0.0 110.026 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.573 ' N ' ' HG3' ' A' ' 46' ' ' MET . 44.1 mm -61.25 -39.91 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.349 -0.844 . . . . 0.0 109.425 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.656 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.4 mm? . . . . . 0 N--CA 1.489 1.491 0 O-C-N 121.452 -0.78 . . . . 0.0 109.322 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.529 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 51.6 m-85 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.15 0.5 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.538 ' O ' ' HE2' ' A' ' 15' ' ' MET . 39.1 tt0 -47.32 -37.42 10.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.049 -1.032 . . . . 0.0 109.785 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.7 -14.79 62.59 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.219 -0.926 . . . . 0.0 109.849 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.587 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 8.7 m-30 -87.5 16.96 4.89 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.209 -0.932 . . . . 0.0 109.949 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.538 ' HE2' ' O ' ' A' ' 12' ' ' GLN . 52.8 mtm -85.98 144.3 27.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.272 -0.892 . . . . 0.0 110.465 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.596 ' HB2' ' CD2' ' A' ' 21' ' ' PHE . 2.9 tttp -125.84 96.38 4.74 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.491 -0.756 . . . . 0.0 109.809 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 51.37 48.65 22.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.245 -0.909 . . . . 0.0 109.719 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.99 16.31 77.14 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 16' ' ' LYS . 8.3 tmtt? -129.22 109.4 11.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.259 -1.142 . . . . 0.0 110.236 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.755 HD23 ' N ' ' A' ' 21' ' ' PHE . 2.0 tt -80.62 124.41 28.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.181 -0.95 . . . . 0.0 110.137 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.755 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.0 p90 -107.01 75.72 1.05 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.216 -0.927 . . . . 0.0 109.971 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.616 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 2.2 t -51.96 -45.4 92.92 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.42 -0.8 . . . . 0.0 111.325 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -61.83 70.36 0.1 Allowed 'Trans proline' 0 C--N 1.318 -1.044 0 O-C-N 122.912 0.954 . . . . 0.0 110.804 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 22' ' ' CYS . 11.5 tt0 -106.91 -74.02 0.67 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.354 -0.841 . . . . 0.0 109.754 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.584 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 50.4 m-20 -146.48 65.38 1.19 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.507 -0.745 . . . . 0.0 109.552 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.575 ' CA ' HD11 ' A' ' 38' ' ' ILE . 83.7 mttt -57.85 -12.16 2.9 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.377 -0.827 . . . . 0.0 110.966 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' LYS . 70.8 mmtt -41.58 -27.1 0.09 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.248 -0.907 . . . . 0.0 110.162 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 15.4 m-85 -52.29 -25.85 10.56 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.227 -0.921 . . . . 0.0 110.015 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.602 ' CD1' HD13 ' A' ' 35' ' ' ILE . 62.4 t80 -41.35 -26.29 0.06 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.404 -0.81 . . . . 0.0 110.519 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 28' ' ' PHE . 36.9 mt-30 -65.36 -7.39 13.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.243 -0.911 . . . . 0.0 110.64 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -130.51 149.96 51.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.118 -0.989 . . . . 0.0 110.275 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HA ' ' HB ' ' A' ' 35' ' ' ILE . 13.5 tp -47.03 -55.19 8.64 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.202 -0.936 . . . . 0.0 110.174 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -50.72 -38.02 44.94 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.223 -0.923 . . . . 0.0 108.579 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.498 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -73.23 -44.3 35.56 Favored Glycine 0 N--CA 1.483 1.795 0 N-CA-C 107.859 -2.096 . . . . 0.0 107.859 178.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.602 HD13 ' CD1' ' A' ' 29' ' ' PHE . 1.7 mm -55.35 -36.71 41.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.301 -1.117 . . . . 0.0 108.742 178.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' PHE . 12.8 mmm -74.41 -64.97 0.91 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.629 -0.829 . . . . 0.0 110.015 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -44.96 -50.23 10.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.133 -0.98 . . . . 0.0 109.043 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.614 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 22.2 mm -47.82 -41.44 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.867 -1.146 . . . . 0.0 109.305 178.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 5.5 m120 -71.18 -31.23 67.39 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.526 -0.734 . . . . 0.0 110.011 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.522 ' HA ' ' HB ' ' A' ' 43' ' ' THR . 16.3 mtpt -84.85 -17.97 36.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.867 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -55.5 -63.83 1.04 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.107 -0.996 . . . . 0.0 110.199 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' A' ' 46' ' ' MET . . . -75.54 -30.91 59.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 110.217 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.522 ' HB ' ' HA ' ' A' ' 40' ' ' LYS . 98.2 m -69.22 -31.82 70.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.378 -0.826 . . . . 0.0 110.335 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.521 ' HA ' HG12 ' A' ' 47' ' ' ILE . 88.7 m -86.09 -39.89 16.28 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.213 -0.93 . . . . 0.0 109.963 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.603 ' HA ' HD12 ' A' ' 48' ' ' LEU . 11.1 ttmm -55.0 -46.25 75.15 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.191 -0.943 . . . . 0.0 109.729 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.543 ' SD ' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -58.9 -31.09 68.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.319 -0.863 . . . . 0.0 110.107 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.543 HD13 ' SD ' ' A' ' 46' ' ' MET . 14.6 mm -56.48 -37.94 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.24 -0.912 . . . . 0.0 109.602 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 45' ' ' LYS . 1.8 mt . . . . . 0 N--CA 1.488 1.443 0 O-C-N 121.37 -0.831 . . . . 0.0 109.681 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.591 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 7.3 m-85 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.122 0.487 . . . . 0.0 110.2 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.458 ' O ' ' SD ' ' A' ' 15' ' ' MET . 5.7 tp60 -46.23 -28.62 1.32 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.09 -1.006 . . . . 0.0 109.607 179.778 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.22 -23.82 61.29 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.273 -0.892 . . . . 0.0 109.702 179.618 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 11' ' ' PHE . 10.5 m-85 -90.39 18.56 6.01 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.317 -0.865 . . . . 0.0 110.142 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.529 ' O ' ' CG ' ' A' ' 15' ' ' MET . 19.6 ptt? -95.99 119.89 35.29 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.172 -0.955 . . . . 0.0 110.299 -179.824 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 84.8 tttt -96.52 89.72 5.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.184 -0.948 . . . . 0.0 110.105 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.446 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 16.7 t-20 64.08 52.48 2.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.24 -0.912 . . . . 0.0 110.23 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.22 -1.54 75.1 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -107.21 102.83 12.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.183 -1.186 . . . . 0.0 110.211 -179.961 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.5 tm? -82.0 114.92 20.9 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.223 -0.923 . . . . 0.0 110.18 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.589 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 11.6 p90 -97.37 86.72 3.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -0.912 . . . . 0.0 109.849 179.529 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.61 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 2.7 t -50.79 -45.91 86.74 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.336 -0.853 . . . . 0.0 111.183 -179.847 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -62.38 82.11 0.1 Allowed 'Trans proline' 0 C--N 1.318 -1.063 0 O-C-N 122.859 0.926 . . . . 0.0 110.802 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.452 ' O ' ' HB3' ' A' ' 25' ' ' ASP . 12.4 tt0 -129.96 77.59 1.8 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.323 -0.86 . . . . 0.0 109.591 179.481 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 35.2 t0 56.45 54.57 7.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.371 -0.831 . . . . 0.0 109.583 -179.38 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.543 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 75.8 mttt -57.13 -12.41 2.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.428 -0.795 . . . . 0.0 110.888 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 66.2 mmtt -40.69 -26.08 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.283 -0.886 . . . . 0.0 110.439 179.781 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 8.2 m-85 -41.4 -28.11 0.11 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.375 -0.828 . . . . 0.0 109.888 179.735 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.629 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 6.1 t80 -41.95 -25.63 0.07 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.413 -0.805 . . . . 0.0 110.611 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' PHE . 28.5 mt-30 -63.93 -8.9 12.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.237 -0.914 . . . . 0.0 110.584 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 71.1 m -136.66 146.73 46.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.123 -0.986 . . . . 0.0 110.439 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tt -47.06 -57.72 4.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.264 -0.898 . . . . 0.0 110.008 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -51.32 -35.95 40.43 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.407 -0.808 . . . . 0.0 108.858 179.604 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.544 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -73.29 -42.93 40.58 Favored Glycine 0 N--CA 1.485 1.956 0 N-CA-C 108.227 -1.949 . . . . 0.0 108.227 178.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.629 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 2.5 mm -59.17 -34.61 54.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.268 -1.137 . . . . 0.0 109.464 179.221 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.445 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 8.5 mtp -62.01 -59.52 4.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.266 -0.896 . . . . 0.0 110.224 179.69 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.655 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.33 -54.18 4.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.23 -0.919 . . . . 0.0 109.538 -179.7 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.655 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 9.8 mt -50.52 -39.1 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.758 -1.214 . . . . 0.0 109.667 179.291 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 36' ' ' MET . 46.4 m-20 -62.43 -38.54 90.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.334 -0.853 . . . . 0.0 109.577 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 44' ' ' CYS . 7.9 mttp -87.65 -18.37 29.75 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.487 -0.758 . . . . 0.0 109.882 179.528 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -56.22 -67.74 0.27 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.303 -0.873 . . . . 0.0 110.172 179.936 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.469 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -66.12 -27.83 68.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.248 -0.907 . . . . 0.0 110.476 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.508 ' O ' ' CG ' ' A' ' 46' ' ' MET . 77.6 m -80.14 -18.87 48.6 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.142 -0.974 . . . . 0.0 110.217 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 40' ' ' LYS . 54.1 t -92.3 -51.84 4.96 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.287 -0.883 . . . . 0.0 110.301 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.524 ' HG3' ' N ' ' A' ' 46' ' ' MET . 2.2 ptpt -53.3 -25.99 16.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.201 -0.937 . . . . 0.0 109.931 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.524 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -73.97 -25.43 59.93 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.341 -0.849 . . . . 0.0 109.891 179.867 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.51 ' CD1' ' SD ' ' A' ' 46' ' ' MET . 8.8 mm -71.23 -33.93 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.309 -0.869 . . . . 0.0 109.546 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.698 HD13 ' HB3' ' A' ' 20' ' ' LEU . 1.1 mt . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.478 -0.764 . . . . 0.0 109.843 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.2 mttp . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.246 0.546 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -78.48 150.26 33.0 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.263 -0.898 . . . . 0.0 110.213 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 7' ' ' MET . 94.3 mt-10 -71.93 -5.07 32.01 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.277 -0.89 . . . . 0.0 110.14 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -77.86 1.71 19.58 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.255 -0.903 . . . . 0.0 110.169 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -122.42 -30.35 3.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.241 -0.912 . . . . 0.0 109.886 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.563 ' O ' ' CE1' ' A' ' 9' ' ' HIS . 79.4 mt-10 -136.5 53.87 1.9 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.421 -0.799 . . . . 0.0 109.811 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 6' ' ' GLU . 62.9 mmm -41.55 -39.83 1.68 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.357 -0.839 . . . . 0.0 110.426 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.2 m -91.61 103.57 16.15 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.259 -0.901 . . . . 0.0 110.248 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.563 ' CE1' ' O ' ' A' ' 6' ' ' GLU . 99.6 m-70 -101.59 -48.72 4.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.0 110.234 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -87.88 -37.31 16.6 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.245 -0.909 . . . . 0.0 110.244 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.69 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 61.2 m-85 -69.36 -25.79 64.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.208 -0.933 . . . . 0.0 110.18 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.477 ' O ' ' CG ' ' A' ' 15' ' ' MET . 38.3 tt0 -46.46 -45.54 18.3 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.116 -0.99 . . . . 0.0 109.213 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.89 -18.83 36.64 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.3 -0.875 . . . . 0.0 109.753 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.64 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 15.3 m-30 -87.34 12.04 12.95 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 0.0 110.469 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.538 ' O ' ' CG ' ' A' ' 15' ' ' MET . 7.9 ptt? -98.83 117.95 34.48 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.049 -1.032 . . . . 0.0 110.625 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 19' ' ' LYS . 17.8 tptm -98.88 85.95 3.39 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.186 -0.946 . . . . 0.0 109.853 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 77.1 m-20 59.39 52.13 6.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.483 -0.76 . . . . 0.0 110.593 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.66 -8.8 78.21 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 15' ' ' MET . 0.0 OUTLIER -99.55 111.61 23.93 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.096 -1.238 . . . . 0.0 110.405 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.731 HD13 ' HA ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -95.61 103.56 15.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.175 -0.953 . . . . 0.0 110.138 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.64 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 8.3 p90 -90.73 65.36 5.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.201 -0.937 . . . . 0.0 110.017 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.604 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -50.98 -46.92 87.98 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.448 -0.783 . . . . 0.0 111.48 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.2 Cg_exo -63.82 84.45 0.14 Allowed 'Trans proline' 0 C--N 1.314 -1.258 0 O-C-N 123.19 1.1 . . . . 0.0 110.716 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.521 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 18.0 tt0 -121.7 -83.94 0.66 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.333 -0.854 . . . . 0.0 110.068 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.583 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 10.7 t0 -126.61 70.95 1.27 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.314 -0.866 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.681 ' O ' HD11 ' A' ' 38' ' ' ILE . 58.1 mttt -65.0 -7.03 10.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.202 -0.937 . . . . 0.0 110.77 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' LYS . 85.0 mttt -41.83 -27.25 0.11 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.126 -0.983 . . . . 0.0 110.107 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 20.5 m-85 -53.59 -19.49 3.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.253 -0.904 . . . . 0.0 109.867 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.695 ' CE1' HD11 ' A' ' 35' ' ' ILE . 19.4 t80 -46.93 -24.17 0.56 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.343 -0.848 . . . . 0.0 110.078 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -68.76 -5.0 18.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.381 -0.824 . . . . 0.0 110.46 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.7 m -130.08 165.12 22.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.127 -0.983 . . . . 0.0 110.222 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' ' 32' ' ' LEU . 4.1 tt -64.58 -50.76 65.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.252 -0.905 . . . . 0.0 110.154 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -55.2 -39.59 69.79 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.367 -0.833 . . . . 0.0 109.118 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.04 -48.75 45.44 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 108.241 -1.944 . . . . 0.0 108.241 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.695 HD11 ' CE1' ' A' ' 29' ' ' PHE . 4.0 mm -55.06 -35.38 34.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.297 -1.119 . . . . 0.0 109.037 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.471 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 26.6 mmm -74.06 -65.13 0.88 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.44 -0.787 . . . . 0.0 109.996 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -46.06 -50.53 15.06 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.123 -0.986 . . . . 0.0 108.844 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.681 HD11 ' O ' ' A' ' 26' ' ' LYS . 6.8 mt -51.44 -39.43 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.115 -0.99 . . . . 0.0 109.477 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 98.3 m-20 -67.2 -35.91 80.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -0.86 . . . . 0.0 109.237 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -83.63 -14.56 51.67 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.53 -0.731 . . . . 0.0 109.433 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 8.1 t -65.26 -71.61 0.18 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.425 -0.797 . . . . 0.0 109.645 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.32 -30.33 4.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.522 -0.736 . . . . 0.0 109.823 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 46' ' ' MET . 91.9 m -80.05 -53.57 6.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.298 -0.876 . . . . 0.0 109.654 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.501 ' HA ' HG13 ' A' ' 47' ' ' ILE . 12.8 t -52.19 -26.12 10.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.277 -0.889 . . . . 0.0 109.878 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.731 ' HA ' HD13 ' A' ' 20' ' ' LEU . 28.7 tttt -67.74 -48.3 66.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.332 -0.855 . . . . 0.0 110.061 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.545 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -63.68 -22.65 67.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.247 -0.908 . . . . 0.0 109.901 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.545 ' N ' ' HG3' ' A' ' 46' ' ' MET . 34.8 mm -60.19 -38.13 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.378 -0.826 . . . . 0.0 109.552 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.727 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.5 mm? -74.46 -39.93 62.22 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.381 -0.824 . . . . 0.0 109.864 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -56.53 -25.73 52.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.337 -0.852 . . . . 0.0 110.118 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -67.02 -34.52 77.91 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.278 -0.889 . . . . 0.0 110.261 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.66 -23.99 66.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.311 -0.868 . . . . 0.0 110.139 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.58 -22.69 61.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.298 -0.876 . . . . 0.0 110.176 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -80.71 -24.04 39.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.184 -0.947 . . . . 0.0 110.244 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.2 m -75.57 -20.69 58.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.22 -0.925 . . . . 0.0 110.209 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 13.9 pt20 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.226 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 1' ' ' LYS . 17.6 ptpt . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.203 0.525 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.52 ' ND2' ' HB2' ' A' ' 4' ' ' ASP . 58.9 t30 -94.35 122.59 37.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.302 -0.873 . . . . 0.0 110.202 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.419 ' OE2' ' HB3' ' A' ' 51' ' ' GLU . 92.8 mt-10 -55.28 -20.28 10.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.265 -0.897 . . . . 0.0 110.196 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.52 ' HB2' ' ND2' ' A' ' 2' ' ' ASN . 55.4 m-20 -80.26 5.36 14.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.242 -0.911 . . . . 0.0 110.123 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -116.37 -30.02 6.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.282 -0.886 . . . . 0.0 109.38 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.463 ' O ' ' O ' ' A' ' 7' ' ' MET . 96.4 mt-10 -125.32 24.71 7.31 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.604 -0.685 . . . . 0.0 109.306 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.463 ' O ' ' O ' ' A' ' 6' ' ' GLU . 14.9 ptt? -41.6 165.4 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.548 -0.72 . . . . 0.0 110.443 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.8 t -145.26 96.05 2.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.271 -0.893 . . . . 0.0 110.139 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -86.73 -16.38 36.59 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.307 -0.87 . . . . 0.0 110.122 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.33 -32.98 74.72 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.162 -0.961 . . . . 0.0 110.266 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.592 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 39.5 m-85 -96.6 -16.67 20.9 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.279 -0.888 . . . . 0.0 110.356 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 15' ' ' MET . 7.9 tt0 -46.57 -26.18 0.84 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.028 -1.045 . . . . 0.0 109.783 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.84 -22.39 59.79 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.248 -0.908 . . . . 0.0 109.767 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.618 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 13.5 m-85 -90.32 17.81 6.79 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.303 -0.873 . . . . 0.0 110.278 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.542 ' O ' ' CG ' ' A' ' 15' ' ' MET . 21.3 ptm -98.95 118.22 35.24 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.096 -1.002 . . . . 0.0 110.562 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 10.9 tttt -96.89 85.46 3.78 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.193 -0.942 . . . . 0.0 109.9 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 75.4 m-20 59.04 53.97 5.24 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.405 -0.809 . . . . 0.0 110.658 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.46 -16.29 58.1 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 15' ' ' MET . 1.7 tmtp? -92.73 129.64 38.59 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.097 -1.237 . . . . 0.0 110.094 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.582 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.2 tt -109.01 110.18 21.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.136 -0.977 . . . . 0.0 110.379 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 11.0 p90 -96.9 63.53 1.96 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.234 -0.916 . . . . 0.0 109.861 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.61 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.6 OUTLIER -51.53 -45.89 90.73 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.482 -0.761 . . . . 0.0 111.548 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.0 Cg_exo -65.3 79.09 0.23 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.171 1.09 . . . . 0.0 111.201 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 22' ' ' CYS . 5.5 pt20 -122.19 -112.96 0.32 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.129 -0.982 . . . . 0.0 109.461 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 20.0 t70 -93.29 69.3 4.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.869 -1.145 . . . . 0.0 109.73 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 28' ' ' PHE . 15.6 mtpt -68.0 -3.71 10.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.275 -0.891 . . . . 0.0 110.839 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LYS . 58.6 mttp -42.69 -26.34 0.12 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.161 -0.962 . . . . 0.0 110.236 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 24.7 m-85 -46.35 -23.86 0.41 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.254 -0.904 . . . . 0.0 110.316 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.51 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 18.2 t80 -42.5 -25.0 0.07 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.211 -0.93 . . . . 0.0 110.78 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' PHE . 20.3 pt20 -72.14 0.13 10.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.176 -0.953 . . . . 0.0 110.738 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -137.06 158.83 43.56 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.1 -1.0 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.69 -52.04 66.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 110.181 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -53.51 -35.65 60.89 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.288 -0.882 . . . . 0.0 109.11 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.464 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -70.84 -52.08 16.5 Favored Glycine 0 N--CA 1.486 2.015 0 N-CA-C 108.292 -1.923 . . . . 0.0 108.292 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.503 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 3.7 mm -53.63 -31.45 19.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 O-C-N 121.206 -1.173 . . . . 0.0 108.986 179.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.454 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 7.3 mmt -74.37 -66.51 0.72 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.361 -0.837 . . . . 0.0 110.025 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.622 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.65 -49.71 14.12 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.029 -1.044 . . . . 0.0 108.994 179.777 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.622 ' CG1' ' CE1' ' A' ' 37' ' ' PHE . 9.3 mt -51.91 -37.57 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.072 -1.018 . . . . 0.0 109.554 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 98.8 m-20 -70.15 -37.76 75.33 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.347 -0.846 . . . . 0.0 109.684 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.5 ' HA ' ' HB ' ' A' ' 43' ' ' THR . 39.9 mttt -83.51 -17.87 40.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.516 -0.74 . . . . 0.0 109.398 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.545 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 42.8 t -50.14 -68.07 0.2 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.497 -0.752 . . . . 0.0 110.157 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.75 74.56 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.453 -0.779 . . . . 0.0 110.388 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 46' ' ' MET . 98.4 m -69.36 -37.66 77.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.237 -0.915 . . . . 0.0 110.071 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.519 ' HA ' HG12 ' A' ' 47' ' ' ILE . 97.7 m -76.69 -29.68 56.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.265 -0.897 . . . . 0.0 109.728 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.582 ' HA ' HD13 ' A' ' 20' ' ' LEU . 31.3 tttt -62.81 -44.26 96.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.331 -0.855 . . . . 0.0 109.939 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.525 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -63.9 -25.17 68.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.278 -0.888 . . . . 0.0 109.89 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.519 HG12 ' HA ' ' A' ' 44' ' ' CYS . 20.7 mm -57.16 -42.38 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.385 -0.822 . . . . 0.0 109.768 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.688 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? -70.06 -39.5 75.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.311 -0.868 . . . . 0.0 109.944 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 66.5 mm-40 -62.88 -28.72 70.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.289 -0.882 . . . . 0.0 110.102 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 46' ' ' MET . 78.4 mttt -59.4 -49.66 76.94 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.264 -0.897 . . . . 0.0 110.163 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 2.0 pt-20 -69.28 -19.6 63.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.26 -0.9 . . . . 0.0 110.2 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.461 ' N ' ' HG3' ' A' ' 51' ' ' GLU . . . -67.28 -17.69 64.89 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.242 -0.911 . . . . 0.0 110.258 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -82.12 -38.04 25.36 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.259 -0.901 . . . . 0.0 110.175 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.9 p -66.07 -17.1 64.48 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.299 -0.876 . . . . 0.0 110.195 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.185 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 95.7 mttt . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.284 0.564 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -91.14 122.9 34.18 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.203 -0.935 . . . . 0.0 110.117 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -68.24 -8.29 37.9 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.189 -0.944 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 5' ' ' GLN . 11.2 t0 -88.91 -29.91 19.25 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -0.912 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.493 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 2.0 tt0 69.86 -71.64 0.12 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.236 -0.915 . . . . 0.0 109.789 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.507 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 73.9 mm-40 -69.04 59.73 0.1 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.408 -0.808 . . . . 0.0 109.756 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 5' ' ' GLN . 95.3 mtp -41.75 -28.54 0.15 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.377 -0.827 . . . . 0.0 110.432 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 11' ' ' PHE . 20.9 t -96.96 119.84 36.19 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.221 -0.925 . . . . 0.0 110.383 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.507 ' NE2' ' O ' ' A' ' 6' ' ' GLU . 48.7 m80 -121.92 -22.07 5.84 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.267 -0.896 . . . . 0.0 110.275 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -65.81 -43.82 87.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.176 -0.952 . . . . 0.0 110.175 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.599 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 59.9 m-85 -82.97 -19.06 37.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.204 -0.935 . . . . 0.0 110.156 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.455 ' O ' ' HG2' ' A' ' 15' ' ' MET . 61.0 tt0 -46.45 -39.48 10.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.146 -0.971 . . . . 0.0 109.453 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.52 -20.25 64.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.396 -0.815 . . . . 0.0 109.762 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.633 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 7.1 m-30 -92.6 17.62 9.91 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.337 -0.852 . . . . 0.0 110.46 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.551 ' O ' ' CG ' ' A' ' 15' ' ' MET . 21.2 ptm -99.05 115.9 30.05 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.012 -1.055 . . . . 0.0 110.794 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -95.98 87.62 4.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.193 -0.942 . . . . 0.0 109.782 179.584 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 76.2 m-20 58.4 51.88 7.77 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.89 . . . . 0.0 110.285 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.13 -11.56 66.99 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.49 ' C ' ' CD ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -95.71 111.25 23.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.022 -1.281 . . . . 0.0 110.297 -179.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 21' ' ' PHE . 1.5 tt -93.27 114.77 27.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.098 -1.001 . . . . 0.0 110.227 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.633 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 7.4 p90 -99.11 69.27 1.72 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.141 -0.974 . . . . 0.0 110.04 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.61 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -48.75 -48.89 69.12 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.517 -0.74 . . . . 0.0 111.45 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.4 Cg_exo -61.99 83.12 0.1 OUTLIER 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.247 1.13 . . . . 0.0 110.784 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.495 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 13.1 tt0 -126.56 -77.11 0.58 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.455 -0.778 . . . . 0.0 109.867 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.586 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 29.8 t0 -136.28 76.91 1.63 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.364 -0.835 . . . . 0.0 110.041 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.588 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 30.8 mtpt -68.84 -2.71 10.2 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.199 -0.938 . . . . 0.0 110.826 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 26' ' ' LYS . 71.4 mttt -41.69 -27.98 0.13 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.151 -0.968 . . . . 0.0 110.188 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.587 ' HB3' ' CA ' ' A' ' 34' ' ' GLY . 22.9 m-85 -48.77 -21.57 0.65 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.412 -0.805 . . . . 0.0 110.381 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.588 ' HB2' HD11 ' A' ' 38' ' ' ILE . 9.7 t80 -53.02 -18.17 1.87 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.224 -0.922 . . . . 0.0 110.498 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -68.74 -4.34 15.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.15 -0.969 . . . . 0.0 110.877 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 35' ' ' ILE . 34.5 m -144.45 160.69 40.66 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.024 -1.048 . . . . 0.0 110.557 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.78 -59.83 4.76 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.276 -0.89 . . . . 0.0 109.851 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -50.95 -37.43 44.37 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.587 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.75 -39.6 54.97 Favored Glycine 0 N--CA 1.483 1.801 0 N-CA-C 108.161 -1.976 . . . . 0.0 108.161 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' SER . 2.0 mm -59.64 -36.3 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.496 -1.002 . . . . 0.0 109.601 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' PHE . 33.8 mmt -54.07 -55.75 24.53 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.321 -0.862 . . . . 0.0 110.349 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.632 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.86 -52.72 6.58 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.174 -0.953 . . . . 0.0 109.727 -179.758 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.632 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 7.6 mt -51.24 -36.89 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.806 -1.184 . . . . 0.0 109.85 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.02 -31.69 69.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 109.857 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.452 ' HA ' ' HB ' ' A' ' 43' ' ' THR . 53.5 mttt -95.49 -15.09 23.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.321 -0.862 . . . . 0.0 109.869 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.545 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 17.9 t -54.33 -71.8 0.07 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.405 -0.809 . . . . 0.0 110.165 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -61.91 -34.0 75.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.417 -0.802 . . . . 0.0 110.158 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.522 ' O ' ' CG ' ' A' ' 46' ' ' MET . 34.2 m -67.55 -58.29 4.96 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.222 -0.923 . . . . 0.0 109.932 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.501 ' HA ' HG13 ' A' ' 47' ' ' ILE . 42.0 t -52.38 -27.71 16.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.189 -0.944 . . . . 0.0 109.926 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 44.0 tttt -64.71 -49.05 72.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.156 -0.965 . . . . 0.0 109.936 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -64.06 -23.33 67.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.265 -0.897 . . . . 0.0 109.97 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.554 ' N ' ' HG3' ' A' ' 46' ' ' MET . 48.7 mm -57.35 -39.96 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.248 -0.908 . . . . 0.0 109.628 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.73 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -73.22 -39.91 65.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.346 -0.846 . . . . 0.0 109.678 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -64.47 -22.85 67.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.314 -0.867 . . . . 0.0 109.883 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 46' ' ' MET . 65.7 mmtt -75.56 -41.17 55.52 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.353 -0.842 . . . . 0.0 110.099 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -59.29 -26.34 64.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.297 -0.877 . . . . 0.0 110.124 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -79.47 130.08 35.07 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.317 -0.864 . . . . 0.0 110.187 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 94.4 mttt 56.96 40.93 28.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.219 -0.926 . . . . 0.0 110.205 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 t -63.99 -17.16 63.04 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.329 -0.857 . . . . 0.0 110.206 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.208 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.325 0.583 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -93.17 132.28 37.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.265 -0.897 . . . . 0.0 110.301 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 7' ' ' MET . 52.1 mt-10 -60.47 -26.03 66.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.334 -0.854 . . . . 0.0 110.143 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -65.46 -17.46 64.57 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.219 -0.925 . . . . 0.0 110.155 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.436 ' OE1' ' HA ' ' A' ' 5' ' ' GLN . 49.5 mm-40 -85.71 -46.21 10.93 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.263 -0.898 . . . . 0.0 109.552 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 7' ' ' MET . 14.1 mp0 -89.82 -10.12 46.62 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.545 -0.722 . . . . 0.0 109.411 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 3' ' ' GLU . 48.9 mtm 58.81 -142.99 0.63 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.492 -0.755 . . . . 0.0 110.349 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 62.7 m -101.14 116.14 32.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.333 -0.854 . . . . 0.0 110.358 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.583 ' CD2' ' NZ ' ' A' ' 40' ' ' LYS . 28.9 p80 -107.42 -24.67 11.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.25 -0.906 . . . . 0.0 109.938 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.529 ' HB2' ' CE1' ' A' ' 9' ' ' HIS . 32.4 tt0 -96.25 -42.76 8.02 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.284 -0.885 . . . . 0.0 110.082 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.581 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 44.0 m-85 -78.54 -18.33 54.87 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 110.148 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 15' ' ' MET . 12.7 tt0 -47.44 -39.78 16.44 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.103 -0.998 . . . . 0.0 109.681 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.02 -16.79 62.43 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.298 -0.877 . . . . 0.0 109.646 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.63 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 18.1 m-30 -86.43 14.12 7.21 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.387 -0.82 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 85.9 mtp -88.96 102.98 15.61 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.229 -0.919 . . . . 0.0 110.455 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 19' ' ' LYS . 38.9 ttmt -98.5 103.84 15.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.472 -0.768 . . . . 0.0 110.075 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 57.83 56.02 5.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 0.0 110.043 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.81 24.33 69.8 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 1.3 tmtp? -129.31 108.85 10.63 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.313 -1.11 . . . . 0.0 110.251 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.536 HD23 ' C ' ' A' ' 20' ' ' LEU . 1.2 tt -83.54 105.83 14.79 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.255 -0.903 . . . . 0.0 110.082 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.63 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 26.6 p90 -91.46 71.88 6.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.019 -1.051 . . . . 0.0 109.982 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.61 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -49.66 -47.39 78.9 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.396 -0.815 . . . . 0.0 111.457 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.4 Cg_exo -62.35 73.86 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.185 0 O-C-N 123.094 1.05 . . . . 0.0 110.837 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 22' ' ' CYS . 10.6 tt0 -101.18 -52.72 3.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.415 -0.803 . . . . 0.0 109.722 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 53.6 t0 -165.03 64.67 0.13 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.474 -0.767 . . . . 0.0 109.861 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.893 ' O ' HD11 ' A' ' 38' ' ' ILE . 92.2 mttt -55.16 -15.04 1.94 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.368 -0.833 . . . . 0.0 110.899 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 96.8 mttt -41.32 -26.75 0.06 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.219 -0.925 . . . . 0.0 110.396 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 14.9 m-85 -53.61 -18.46 2.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 0.0 110.202 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.706 ' CE1' HD11 ' A' ' 35' ' ' ILE . 15.4 t80 -41.89 -26.24 0.08 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.28 -0.888 . . . . 0.0 110.444 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' PHE . 25.4 pt20 -66.97 -5.8 14.24 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.293 -0.879 . . . . 0.0 110.726 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.7 m -132.33 153.26 50.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.061 -1.025 . . . . 0.0 110.402 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.7 tt -53.28 -45.66 68.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.129 -0.982 . . . . 0.0 110.027 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -57.38 -39.75 76.73 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.344 -0.847 . . . . 0.0 109.133 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.472 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -70.21 -48.04 41.11 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 108.179 -1.968 . . . . 0.0 108.179 178.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.706 HD11 ' CE1' ' A' ' 29' ' ' PHE . 5.1 mm -56.08 -33.88 37.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 121.358 -1.083 . . . . 0.0 109.299 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.455 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 4.7 mtp -72.52 -64.17 1.01 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.389 -0.82 . . . . 0.0 110.008 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.645 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -50.05 -49.37 51.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.053 -1.029 . . . . 0.0 109.073 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.893 HD11 ' O ' ' A' ' 26' ' ' LYS . 6.9 mt -53.65 -35.35 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.049 -1.032 . . . . 0.0 109.487 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 92.5 m-20 -72.51 -38.93 67.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.469 -0.769 . . . . 0.0 109.916 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.583 ' NZ ' ' CD2' ' A' ' 9' ' ' HIS . 24.4 tttt -82.79 -22.18 34.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.498 -0.751 . . . . 0.0 109.76 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.533 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 8.5 t -54.66 -72.44 0.06 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.382 -0.824 . . . . 0.0 109.941 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.06 -31.04 17.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 0.0 109.918 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 46' ' ' MET . 95.1 m -80.1 -22.53 42.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.502 -0.749 . . . . 0.0 109.817 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.514 ' HA ' HG12 ' A' ' 47' ' ' ILE . 13.4 t -81.62 -42.35 20.15 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.311 -0.868 . . . . 0.0 109.543 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -54.53 -40.23 68.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.407 -0.808 . . . . 0.0 109.634 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.529 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -65.01 -23.63 67.27 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.205 -0.934 . . . . 0.0 109.858 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.529 ' N ' ' HG3' ' A' ' 46' ' ' MET . 27.3 mm -61.35 -37.28 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.35 -0.844 . . . . 0.0 109.562 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.72 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? -71.8 -38.82 70.18 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.415 -0.803 . . . . 0.0 109.679 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.11 -24.67 66.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.39 -0.819 . . . . 0.0 110.058 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HD3' ' OE1' ' A' ' 55' ' ' GLN . 25.3 mmtp -75.94 -46.98 27.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.32 -0.863 . . . . 0.0 110.175 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.443 ' OE1' HD13 ' A' ' 48' ' ' LEU . 67.2 mt-10 -53.45 -26.78 21.63 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.295 -0.878 . . . . 0.0 110.113 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.07 142.46 34.87 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.293 -0.879 . . . . 0.0 110.156 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -58.25 -17.33 18.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.219 -0.926 . . . . 0.0 110.24 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.455 ' O ' ' O ' ' A' ' 55' ' ' GLN . 65.3 m -63.06 -24.05 67.73 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.186 -0.946 . . . . 0.0 110.222 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.455 ' O ' ' O ' ' A' ' 54' ' ' SER . 4.7 tp60 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.193 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.27 0.557 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -85.38 129.84 34.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.228 -0.92 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -78.56 -12.0 59.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.285 -0.884 . . . . 0.0 110.083 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -152.61 84.9 1.24 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.289 -0.882 . . . . 0.0 110.075 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.426 ' O ' ' HB2' ' A' ' 6' ' ' GLU . 58.7 tt0 -133.18 73.03 1.5 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.204 -0.935 . . . . 0.0 110.333 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 40.7 mt-10 61.03 23.32 13.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.206 -0.934 . . . . 0.0 110.332 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 97.9 mtp -86.37 142.42 28.48 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.294 -0.879 . . . . 0.0 110.112 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.5 t -120.79 131.72 54.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.183 -0.948 . . . . 0.0 110.269 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -126.27 -9.26 6.41 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.264 -0.897 . . . . 0.0 110.33 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.609 ' HG3' ' CD1' ' A' ' 11' ' ' PHE . 17.6 pt-20 -79.79 -38.64 32.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.177 -0.952 . . . . 0.0 110.243 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.609 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 42.5 m-85 -82.31 -19.45 39.38 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.05 -1.031 . . . . 0.0 109.752 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.514 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 52.0 tt0 -46.41 -43.95 16.81 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.27 -0.894 . . . . 0.0 109.336 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.87 -20.7 38.53 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.348 -0.845 . . . . 0.0 109.537 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.658 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 9.3 m-30 -90.55 18.05 6.75 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.289 -0.882 . . . . 0.0 110.168 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.535 ' O ' ' CG ' ' A' ' 15' ' ' MET . 8.1 ptt? -100.09 118.39 36.35 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.202 -0.936 . . . . 0.0 110.496 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 16.8 tppt? -96.56 81.25 3.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.172 -0.955 . . . . 0.0 109.956 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.465 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 11.4 t-20 66.88 52.9 0.88 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 110.048 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.57 -16.56 44.64 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -93.17 104.07 16.29 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.17 -1.194 . . . . 0.0 110.398 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.466 HD23 ' C ' ' A' ' 20' ' ' LEU . 2.2 tt -81.95 113.67 20.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.295 -0.878 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.658 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 7.5 p90 -97.71 70.31 2.19 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.219 -0.926 . . . . 0.0 109.971 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.611 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -48.7 -49.01 68.32 Favored Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.437 -0.789 . . . . 0.0 111.266 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.43 82.69 0.1 Allowed 'Trans proline' 0 C--N 1.314 -1.268 0 O-C-N 123.311 1.163 . . . . 0.0 110.791 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.478 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 11.6 tt0 -125.63 -76.48 0.59 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.506 -0.746 . . . . 0.0 109.741 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.573 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 19.8 t0 -136.03 78.21 1.7 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.4 -0.813 . . . . 0.0 109.887 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 35.8 mttt -68.94 -2.58 10.11 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.27 -0.894 . . . . 0.0 110.76 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LYS . 71.7 mttt -41.33 -27.23 0.08 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.171 -0.956 . . . . 0.0 110.322 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 25.7 m-85 -48.49 -21.33 0.54 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.312 -0.868 . . . . 0.0 110.533 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.886 ' CD2' HD11 ' A' ' 35' ' ' ILE . 9.3 t80 -55.86 -16.47 4.62 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.216 -0.927 . . . . 0.0 110.392 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -61.89 -11.0 10.79 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.207 -0.933 . . . . 0.0 110.975 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' ILE . 8.4 p -147.32 165.7 29.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.01 -1.056 . . . . 0.0 110.744 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.414 ' HA ' ' HB ' ' A' ' 35' ' ' ILE . 3.4 tt -62.41 -54.93 33.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.436 -0.79 . . . . 0.0 110.172 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -54.7 -39.1 67.81 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.282 -0.886 . . . . 0.0 108.991 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.565 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -73.87 -35.45 54.37 Favored Glycine 0 N--CA 1.484 1.893 0 N-CA-C 108.184 -1.966 . . . . 0.0 108.184 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.886 HD11 ' CD2' ' A' ' 29' ' ' PHE . 1.1 mm -64.01 -36.58 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.567 -0.961 . . . . 0.0 109.582 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.8 mtp -49.83 -52.4 32.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.271 -0.893 . . . . 0.0 110.489 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.635 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.72 -49.52 14.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.194 -0.941 . . . . 0.0 109.731 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 29' ' ' PHE . 16.5 mt -50.1 -38.38 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.95 -1.094 . . . . 0.0 109.825 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -72.86 -26.11 61.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.384 -0.822 . . . . 0.0 109.66 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.52 ' CD ' ' OE2' ' A' ' 10' ' ' GLU . 46.7 mttt -96.91 -12.22 23.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.492 -0.755 . . . . 0.0 109.763 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.546 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 8.7 t -60.61 -73.48 0.09 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.28 -0.888 . . . . 0.0 109.881 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -55.67 -32.06 62.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.473 -0.767 . . . . 0.0 110.026 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.54 ' O ' ' CG ' ' A' ' 46' ' ' MET . 18.7 m -72.82 -56.64 4.93 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 0.0 109.721 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.484 ' SG ' ' CD1' ' A' ' 11' ' ' PHE . 50.4 m -49.51 -23.89 1.81 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.104 -0.998 . . . . 0.0 109.645 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 38.5 tttt -69.59 -51.52 34.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.461 -0.774 . . . . 0.0 110.08 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -59.19 -26.08 64.51 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.097 -1.002 . . . . 0.0 109.712 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.537 ' N ' ' HG3' ' A' ' 46' ' ' MET . 24.0 mm -57.75 -38.86 67.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.362 -0.836 . . . . 0.0 109.459 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.693 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.6 mm? -69.63 -41.78 75.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.339 -0.85 . . . . 0.0 109.519 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -79.1 -16.7 56.36 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.324 -0.86 . . . . 0.0 109.525 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.477 ' HD3' ' O ' ' A' ' 50' ' ' LYS . 9.8 tmtt? -66.92 -38.25 85.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.432 -0.792 . . . . 0.0 110.071 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.97 -29.48 69.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.27 -0.894 . . . . 0.0 110.145 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.95 -26.71 39.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.317 -0.864 . . . . 0.0 110.283 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -72.5 -28.16 62.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.297 -0.877 . . . . 0.0 110.236 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -73.06 -15.56 61.5 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.29 -0.881 . . . . 0.0 110.213 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.24 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.222 0.534 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -94.43 143.6 26.27 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.23 -0.919 . . . . 0.0 110.23 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -76.56 -17.61 59.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.177 -0.952 . . . . 0.0 110.312 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 46.2 24.78 0.29 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.221 -0.924 . . . . 0.0 110.064 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -123.03 -13.33 7.82 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.235 -0.916 . . . . 0.0 109.749 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' MET . 18.8 pt-20 -144.19 25.62 1.55 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.539 -0.726 . . . . 0.0 109.072 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' GLU . 77.5 mtp -40.95 -45.42 2.56 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.584 -0.698 . . . . 0.0 110.367 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.6 t -87.9 124.7 33.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.299 -0.876 . . . . 0.0 110.327 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -109.64 -14.88 14.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.308 -0.87 . . . . 0.0 110.152 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -66.27 -42.99 87.69 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.273 -0.892 . . . . 0.0 110.3 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.554 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 44.3 m-85 -91.73 -14.95 29.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 110.403 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.478 ' O ' ' HE2' ' A' ' 15' ' ' MET . 41.4 tt0 -46.28 -25.67 0.67 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.174 -0.954 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.94 -20.39 45.76 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.898 . . . . 0.0 110.248 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.593 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 6.8 m-30 -88.01 18.74 4.01 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.194 -0.941 . . . . 0.0 110.079 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.478 ' HE2' ' O ' ' A' ' 12' ' ' GLN . 41.3 mtm -82.07 144.31 30.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.4 -0.812 . . . . 0.0 110.36 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 19' ' ' LYS . 4.0 tttt -127.52 90.99 3.21 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.394 -0.816 . . . . 0.0 109.722 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 79.5 m-20 56.04 49.87 14.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.351 -0.843 . . . . 0.0 109.727 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.77 10.43 85.14 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 16' ' ' LYS . 7.7 tmtt? -121.86 106.84 11.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.257 -1.143 . . . . 0.0 110.35 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.807 HD23 ' HA ' ' A' ' 45' ' ' LYS . 11.9 tp -86.61 117.03 25.11 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.345 -0.847 . . . . 0.0 110.032 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.593 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 8.7 p90 -95.57 85.23 4.13 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.072 -1.018 . . . . 0.0 110.067 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.615 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.7 OUTLIER -52.16 -46.37 93.66 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.382 -0.824 . . . . 0.0 111.368 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.05 83.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 122.933 0.965 . . . . 0.0 110.875 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.501 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 15.8 tt0 -112.38 -79.61 0.58 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.337 -0.852 . . . . 0.0 110.038 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.584 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 50.6 t0 -144.63 66.21 1.27 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.29 -0.881 . . . . 0.0 109.963 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.716 ' O ' HD11 ' A' ' 38' ' ' ILE . 35.9 mtpt -56.53 -14.17 2.92 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.258 -0.901 . . . . 0.0 110.904 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 96.8 mttt -41.79 -26.45 0.08 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.122 -0.986 . . . . 0.0 110.429 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 18.0 m-85 -55.55 -16.69 4.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.212 -0.93 . . . . 0.0 110.321 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.909 ' CE1' HD11 ' A' ' 35' ' ' ILE . 6.1 t80 -41.89 -26.49 0.09 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.151 -0.968 . . . . 0.0 110.365 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' PHE . 23.1 pt20 -66.63 -5.41 11.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.35 -0.844 . . . . 0.0 110.716 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.9 p -132.43 153.95 50.33 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.057 -1.027 . . . . 0.0 110.042 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tt -52.1 -50.44 61.63 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.16 -0.962 . . . . 0.0 110.096 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -53.86 -37.29 63.52 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.365 -0.835 . . . . 0.0 109.11 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.465 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -70.8 -49.97 26.64 Favored Glycine 0 N--CA 1.484 1.875 0 N-CA-C 108.253 -1.939 . . . . 0.0 108.253 179.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.909 HD11 ' CE1' ' A' ' 29' ' ' PHE . 1.6 mm -55.24 -32.98 29.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.313 -1.11 . . . . 0.0 109.233 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.468 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 30.6 mmm -78.21 -64.16 1.23 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.867 . . . . 0.0 110.079 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.98 -49.57 15.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.093 -1.004 . . . . 0.0 109.157 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.716 HD11 ' O ' ' A' ' 26' ' ' LYS . 6.6 mt -51.28 -38.66 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.082 -1.011 . . . . 0.0 109.533 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 72.7 m-20 -70.26 -34.52 72.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.364 -0.835 . . . . 0.0 109.856 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.523 ' HA ' ' HB ' ' A' ' 43' ' ' THR . 31.9 mtpt -82.07 -20.01 39.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.487 -0.758 . . . . 0.0 110.141 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.534 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 2.7 t -48.53 -64.75 0.71 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.241 -0.912 . . . . 0.0 110.022 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.46 -32.37 73.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 0.0 110.098 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.529 ' O ' ' CG ' ' A' ' 46' ' ' MET . 29.3 m -65.9 -58.4 5.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.263 -0.898 . . . . 0.0 110.163 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.471 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 74.0 m -55.6 -34.65 65.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.128 -0.982 . . . . 0.0 110.147 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.807 ' HA ' HD23 ' A' ' 20' ' ' LEU . 30.4 tttt -58.51 -51.19 70.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.294 -0.879 . . . . 0.0 110.587 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.546 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -59.16 -23.7 62.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.149 -0.969 . . . . 0.0 110.365 -179.704 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.546 ' N ' ' HG3' ' A' ' 46' ' ' MET . 24.6 mm -60.03 -36.19 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.259 -0.901 . . . . 0.0 109.827 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.746 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -77.36 -39.67 46.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.343 -0.848 . . . . 0.0 109.971 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.467 ' OE2' ' HE2' ' A' ' 45' ' ' LYS . 84.1 mt-10 -58.34 -25.38 61.87 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.418 -0.801 . . . . 0.0 110.14 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -72.85 -37.42 67.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.239 -0.913 . . . . 0.0 110.13 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -65.38 -29.76 70.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.3 -0.875 . . . . 0.0 110.103 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 53' ' ' LYS . . . -79.96 -22.53 42.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.33 -0.856 . . . . 0.0 110.128 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' ALA . 51.1 mtmt 42.48 47.29 4.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.284 -0.885 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.1 p -72.47 -19.18 61.6 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.272 -0.892 . . . . 0.0 110.171 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.195 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.297 0.57 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -82.56 160.31 22.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.225 -0.922 . . . . 0.0 110.229 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -67.35 -25.14 65.85 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.248 -0.908 . . . . 0.0 110.2 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -73.6 -18.22 61.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.263 -0.898 . . . . 0.0 110.136 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' A' ' 6' ' ' GLU . 38.9 tt0 -76.68 90.86 3.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.273 -0.892 . . . . 0.0 110.181 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 38.5 mt-10 62.4 40.07 11.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.205 -0.934 . . . . 0.0 110.149 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' GLU . 29.4 ttm -42.78 -31.73 0.52 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.171 -0.956 . . . . 0.0 110.179 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 98.2 m -85.75 129.31 34.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.237 -0.915 . . . . 0.0 110.21 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -135.8 -39.39 0.71 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.253 -0.905 . . . . 0.0 110.298 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.467 ' OE1' ' HB2' ' A' ' 37' ' ' PHE . 12.3 pt-20 -93.14 -31.22 14.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.183 -0.948 . . . . 0.0 110.308 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.609 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 83.9 m-85 -75.72 -22.79 56.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.219 -0.926 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' A' ' 15' ' ' MET . 60.3 tt0 -45.51 -47.25 14.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.154 -0.966 . . . . 0.0 109.648 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.6 -18.83 22.04 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.307 -0.871 . . . . 0.0 109.772 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.618 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 5.7 m-30 -92.14 13.54 18.68 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.293 -0.879 . . . . 0.0 110.504 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.543 ' O ' ' CG ' ' A' ' 15' ' ' MET . 19.8 ptm -97.65 117.51 32.09 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.037 -1.039 . . . . 0.0 110.72 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 8.8 tttt -97.45 87.88 4.24 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.253 -0.904 . . . . 0.0 109.833 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 77.2 m-20 59.87 51.59 5.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.527 -0.733 . . . . 0.0 110.714 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.4 -15.84 60.35 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.501 ' C ' ' CD ' ' A' ' 19' ' ' LYS . 2.2 tmtm? -98.02 113.72 25.66 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.957 -1.319 . . . . 0.0 110.515 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.761 HD23 ' N ' ' A' ' 21' ' ' PHE . 2.2 tt -96.04 124.34 40.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.111 -0.993 . . . . 0.0 110.156 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.761 ' N ' HD23 ' A' ' 20' ' ' LEU . 3.8 p90 -103.48 73.58 1.21 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.148 -0.97 . . . . 0.0 109.959 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.607 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -47.28 -49.72 51.45 Favored Pre-proline 0 N--CA 1.493 1.703 0 O-C-N 121.51 -0.744 . . . . 0.0 111.46 -179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.4 Cg_exo -61.56 82.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.272 1.143 . . . . 0.0 110.822 -179.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.494 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 11.4 tt0 -126.02 -78.35 0.59 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.465 -0.772 . . . . 0.0 109.77 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.573 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 3.5 t70 -133.32 77.81 1.75 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.456 -0.777 . . . . 0.0 109.971 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 39.3 mttt -68.84 -2.21 9.0 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.357 -0.839 . . . . 0.0 110.851 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' LYS . 70.8 mmtt -41.79 -27.23 0.1 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.149 -0.969 . . . . 0.0 110.291 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 25.2 m-85 -50.15 -21.27 1.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.202 -0.936 . . . . 0.0 110.138 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.833 ' HB2' HD11 ' A' ' 38' ' ' ILE . 6.4 t80 -56.49 -16.46 5.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.277 -0.889 . . . . 0.0 110.11 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -66.15 -6.9 14.9 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.253 -0.904 . . . . 0.0 110.865 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.481 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 11.0 p -147.49 165.63 29.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.035 -1.04 . . . . 0.0 110.682 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' HA ' ' HB ' ' A' ' 35' ' ' ILE . 3.3 tt -66.31 -55.15 17.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.349 -0.844 . . . . 0.0 110.068 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -56.03 -41.94 75.74 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.34 -0.85 . . . . 0.0 109.053 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.537 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.87 -32.75 60.71 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 108.255 -1.938 . . . . 0.0 108.255 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.621 HD11 ' CG ' ' A' ' 29' ' ' PHE . 1.4 mm -66.25 -36.97 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.537 -0.979 . . . . 0.0 109.52 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' PHE . 64.1 mmm -48.15 -50.99 26.85 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.308 -0.87 . . . . 0.0 110.189 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.22 -48.17 12.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.113 -0.992 . . . . 0.0 109.426 -179.826 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.833 HD11 ' HB2' ' A' ' 29' ' ' PHE . 18.3 mt -52.04 -42.92 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.934 -1.104 . . . . 0.0 109.714 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -66.49 -27.49 67.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.463 -0.773 . . . . 0.0 109.975 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 44' ' ' CYS . 40.9 ttmt -96.28 -21.32 17.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.315 -0.866 . . . . 0.0 110.215 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 37' ' ' PHE . 6.1 t -53.86 -75.61 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.174 -0.954 . . . . 0.0 110.086 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.523 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -57.63 -30.52 65.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.403 -0.811 . . . . 0.0 110.305 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.444 ' HA ' ' HG2' ' A' ' 46' ' ' MET . 95.3 m -79.04 -17.64 54.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.218 -0.927 . . . . 0.0 110.133 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 40' ' ' LYS . 10.6 t -92.37 -52.76 4.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.261 -0.899 . . . . 0.0 110.076 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.597 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -51.92 -24.64 6.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.144 -0.972 . . . . 0.0 109.761 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.542 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -78.32 -25.02 46.38 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.401 -0.812 . . . . 0.0 109.656 179.734 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.542 ' N ' ' HG3' ' A' ' 46' ' ' MET . 23.2 mm -63.85 -34.2 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.305 -0.872 . . . . 0.0 109.189 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.741 HD11 HD12 ' A' ' 20' ' ' LEU . 1.3 mt -68.89 -39.02 80.01 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.438 -0.789 . . . . 0.0 109.448 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -45.72 -25.38 0.48 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.323 -0.861 . . . . 0.0 109.453 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 55' ' ' GLN . 29.7 mmtt -76.31 -32.53 58.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.464 -0.772 . . . . 0.0 109.96 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' LEU . 70.6 tt0 -61.59 -27.08 68.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.174 -0.953 . . . . 0.0 110.224 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.98 164.28 23.6 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.305 -0.872 . . . . 0.0 110.195 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -85.87 -8.76 57.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.191 -0.943 . . . . 0.0 110.223 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.0 p -70.24 -18.04 63.14 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.212 -0.93 . . . . 0.0 110.185 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 40.0 tt0 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.114 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 85.0 tttt . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.242 0.544 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.401 ' ND2' ' HB2' ' A' ' 4' ' ' ASP . 43.7 p30 -158.79 -178.24 7.11 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.157 -0.964 . . . . 0.0 110.266 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 7' ' ' MET . 36.3 mp0 -75.88 -0.54 21.66 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.256 -0.903 . . . . 0.0 110.279 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.401 ' HB2' ' ND2' ' A' ' 2' ' ' ASN . 67.8 m-20 -73.51 -1.47 18.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.225 -0.922 . . . . 0.0 110.153 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -122.36 -31.83 3.74 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.776 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.438 ' OE1' ' NE2' ' A' ' 12' ' ' GLN . 86.3 mt-10 -129.03 50.34 2.15 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.41 -0.806 . . . . 0.0 109.828 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 3' ' ' GLU . 76.8 mtm -41.85 -36.09 0.97 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.329 -0.857 . . . . 0.0 110.362 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.0 t -94.01 116.03 28.43 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.221 -0.924 . . . . 0.0 110.267 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -109.2 -12.09 14.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.167 -0.958 . . . . 0.0 110.128 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -72.81 -45.03 60.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.212 -0.93 . . . . 0.0 110.219 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.595 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 45.1 m-85 -83.38 -16.43 46.01 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.255 -0.903 . . . . 0.0 110.371 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 15' ' ' MET . 49.1 tt0 -47.73 -38.21 14.88 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.036 -1.04 . . . . 0.0 109.345 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.28 -19.82 64.92 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.34 -0.85 . . . . 0.0 109.589 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.644 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 11.2 m-30 -89.22 15.38 9.02 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.286 -0.884 . . . . 0.0 110.364 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.56 ' O ' ' CG ' ' A' ' 15' ' ' MET . 13.7 ptt? -98.99 112.1 24.31 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.072 -1.017 . . . . 0.0 110.579 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 8.8 tttt -91.85 90.43 7.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.165 -0.959 . . . . 0.0 109.866 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 78.3 m-20 57.98 52.67 7.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.328 -0.857 . . . . 0.0 110.349 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.51 -13.45 58.15 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.438 ' HD3' ' C ' ' A' ' 19' ' ' LYS . 3.4 tmtm? -95.63 106.54 18.65 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.095 -1.238 . . . . 0.0 110.388 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 45' ' ' LYS . 1.3 tt -85.72 115.49 23.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.249 -0.907 . . . . 0.0 110.194 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.644 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 24.5 p90 -101.73 64.16 0.97 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.072 -1.017 . . . . 0.0 109.885 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.6 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -50.07 -47.11 82.09 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.336 -0.852 . . . . 0.0 111.401 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -65.19 84.27 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.363 0 O-C-N 123.186 1.098 . . . . 0.0 111.067 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 22' ' ' CYS . 0.8 OUTLIER -126.82 -26.32 3.22 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.208 -0.932 . . . . 0.0 110.266 179.575 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.574 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 66.7 t0 -179.97 55.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.876 . . . . 0.0 109.639 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' O ' HD11 ' A' ' 38' ' ' ILE . 41.6 mttt -56.39 -13.51 2.29 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.333 -0.854 . . . . 0.0 110.926 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 99.6 mttt -42.15 -26.22 0.09 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.087 -1.008 . . . . 0.0 110.223 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 13.3 m-85 -48.53 -21.8 0.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.255 -0.903 . . . . 0.0 110.271 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.748 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 7.5 t80 -40.51 -26.31 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.297 -0.877 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' PHE . 18.4 pt20 -67.78 -4.55 12.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.096 -1.003 . . . . 0.0 110.694 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.4 t -133.09 148.47 52.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.008 -1.058 . . . . 0.0 110.342 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.9 tp -46.34 -52.13 13.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.268 -0.895 . . . . 0.0 110.105 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -52.19 -36.81 53.0 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.324 -0.86 . . . . 0.0 108.777 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.475 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -71.92 -51.2 15.54 Favored Glycine 0 N--CA 1.484 1.892 0 N-CA-C 108.078 -2.009 . . . . 0.0 108.078 178.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.748 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 1.6 mm -54.86 -32.15 25.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.243 -1.151 . . . . 0.0 108.915 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.457 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 19.3 mmm -78.98 -65.68 0.96 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.346 -0.846 . . . . 0.0 110.266 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.62 -47.42 14.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.074 -1.016 . . . . 0.0 109.18 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.634 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 6.2 mt -52.81 -39.74 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.948 -1.095 . . . . 0.0 109.417 178.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 89.6 m-20 -65.4 -41.02 94.08 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.406 -0.809 . . . . 0.0 109.624 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 52.8 mttt -83.86 -13.79 52.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.527 -0.733 . . . . 0.0 109.495 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.545 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 44.4 t -58.51 -67.42 0.36 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.369 -0.832 . . . . 0.0 110.171 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.84 -30.95 71.99 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.414 -0.804 . . . . 0.0 110.339 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.531 ' O ' ' CG ' ' A' ' 46' ' ' MET . 99.3 m -74.28 -46.16 43.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.243 -0.911 . . . . 0.0 110.033 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 40' ' ' LYS . 59.2 m -62.43 -24.07 67.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.21 -0.931 . . . . 0.0 109.776 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.496 ' HA ' HD13 ' A' ' 20' ' ' LEU . 23.2 tttt -69.13 -44.27 72.7 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -0.869 . . . . 0.0 110.14 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.531 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -63.12 -23.1 67.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.915 . . . . 0.0 110.095 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.531 ' N ' ' HG3' ' A' ' 46' ' ' MET . 19.3 mm -59.18 -41.48 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.341 -0.85 . . . . 0.0 109.788 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.692 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? -71.71 -39.13 70.36 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.344 -0.848 . . . . 0.0 109.883 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -60.71 -25.14 66.2 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.306 -0.871 . . . . 0.0 110.244 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -75.1 -39.55 60.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.285 -0.884 . . . . 0.0 110.301 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.16 -25.1 45.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.214 -0.929 . . . . 0.0 110.213 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.32 -24.71 46.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.275 -0.891 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 45.06 52.28 8.45 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.268 -0.895 . . . . 0.0 110.171 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 11.9 t -101.32 97.22 7.74 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.303 -0.873 . . . . 0.0 110.142 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 54' ' ' SER . 80.3 mt-30 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.203 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 94.9 mttt . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.253 0.549 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -69.32 133.1 47.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.248 -0.907 . . . . 0.0 110.239 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -71.48 -24.52 62.0 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.229 -0.92 . . . . 0.0 110.258 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 6' ' ' GLU . 81.7 m-20 -84.06 -32.82 24.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.223 -0.923 . . . . 0.0 110.319 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 7' ' ' MET . 91.2 mt-30 57.84 -85.01 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.395 -0.815 . . . . 0.0 109.573 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 4' ' ' ASP . 97.8 mt-10 -68.53 60.7 0.09 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.279 -0.888 . . . . 0.0 109.124 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 5' ' ' GLN . 27.6 mtp -39.56 -30.55 0.07 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.547 -0.721 . . . . 0.0 110.575 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' GLU . 27.5 m -100.44 131.27 46.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.298 -0.876 . . . . 0.0 110.364 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -132.14 -44.86 0.94 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.269 -0.894 . . . . 0.0 110.207 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -80.32 -45.97 16.92 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.278 -0.889 . . . . 0.0 110.331 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.682 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 66.1 m-85 -66.1 -21.05 66.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.171 -0.955 . . . . 0.0 110.322 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.479 ' O ' ' CG ' ' A' ' 15' ' ' MET . 40.3 tt0 -46.33 -47.74 18.44 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.08 -1.013 . . . . 0.0 109.302 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.5 -18.22 17.64 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.298 -0.876 . . . . 0.0 109.661 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.65 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 9.2 m-30 -89.82 16.37 8.19 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.278 -0.889 . . . . 0.0 110.397 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.537 ' O ' ' CG ' ' A' ' 15' ' ' MET . 7.0 ptt? -101.27 115.06 29.63 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.197 -0.94 . . . . 0.0 110.387 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' LYS . 81.3 tttt -93.8 80.69 4.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 110.149 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 15.1 t-20 64.76 57.33 1.06 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.271 -0.893 . . . . 0.0 110.414 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.73 -11.0 60.63 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.696 -1.361 . . . . 0.0 109.696 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' LYS . 7.4 tmtm? -96.5 113.32 24.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.237 -1.155 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.592 HD12 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -92.54 104.23 16.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.173 -0.955 . . . . 0.0 110.223 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.65 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 12.8 p90 -94.42 64.35 3.11 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.074 -1.016 . . . . 0.0 109.931 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.608 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -50.34 -47.25 83.46 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.416 -0.802 . . . . 0.0 111.538 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.608 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -61.58 82.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.315 -1.234 0 O-C-N 123.089 1.047 . . . . 0.0 110.705 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.517 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 20.3 tt0 -120.77 -86.13 0.65 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.43 -0.794 . . . . 0.0 109.845 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.586 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 9.3 t0 -127.6 76.34 1.67 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.338 -0.851 . . . . 0.0 109.952 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.607 ' O ' HD11 ' A' ' 38' ' ' ILE . 53.1 mttt -65.39 -5.21 6.95 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.182 -0.949 . . . . 0.0 110.893 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LYS . 62.7 mmtt -41.94 -26.51 0.09 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.114 -0.991 . . . . 0.0 110.4 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 42.6 m-85 -52.05 -19.64 2.0 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.118 -0.989 . . . . 0.0 110.027 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.593 ' CE1' HD11 ' A' ' 35' ' ' ILE . 7.7 t80 -49.39 -20.64 0.72 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.319 -0.863 . . . . 0.0 110.494 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -69.88 -2.31 11.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.17 -0.956 . . . . 0.0 110.717 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.0 m -136.31 158.17 45.06 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.051 -1.03 . . . . 0.0 110.377 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.39 -47.99 83.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.908 . . . . 0.0 110.005 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -56.68 -39.93 74.67 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.405 -0.809 . . . . 0.0 109.181 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.45 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.45 -46.23 56.77 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 108.253 -1.939 . . . . 0.0 108.253 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.593 HD11 ' CE1' ' A' ' 29' ' ' PHE . 3.6 mm -55.65 -36.72 43.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.354 -1.086 . . . . 0.0 109.113 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.463 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 7.0 mtt -70.18 -65.34 0.74 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.292 -0.88 . . . . 0.0 109.871 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.682 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -46.77 -52.03 14.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.181 -0.949 . . . . 0.0 108.841 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.607 HD11 ' O ' ' A' ' 26' ' ' LYS . 11.4 mt -48.78 -38.75 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.168 -0.958 . . . . 0.0 109.333 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 88.3 m-20 -69.7 -34.55 74.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.351 -0.843 . . . . 0.0 109.123 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -81.08 -15.07 57.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.591 -0.693 . . . . 0.0 109.47 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 11.3 t -63.05 -69.73 0.25 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.449 -0.782 . . . . 0.0 109.764 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.2 -30.45 17.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.565 -0.709 . . . . 0.0 110.036 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.545 ' O ' ' CG ' ' A' ' 46' ' ' MET . 87.1 m -78.62 -53.79 6.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.266 -0.896 . . . . 0.0 109.619 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.471 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 42.0 t -46.1 -33.9 3.82 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.244 -0.91 . . . . 0.0 109.524 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -60.74 -47.58 85.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.35 -0.844 . . . . 0.0 110.222 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.545 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.2 OUTLIER -61.24 -21.64 64.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.171 -0.955 . . . . 0.0 109.775 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.527 ' N ' ' HG3' ' A' ' 46' ' ' MET . 27.5 mm -69.4 -32.93 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.449 -0.782 . . . . 0.0 109.492 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.592 HD23 HD12 ' A' ' 20' ' ' LEU . 3.9 mm? -74.51 -42.11 59.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.416 -0.802 . . . . 0.0 109.963 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.544 ' HG2' ' HA ' ' A' ' 46' ' ' MET . 24.0 pt-20 -72.29 -27.73 62.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 0.0 110.12 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -57.14 -40.97 78.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.305 -0.872 . . . . 0.0 110.189 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.99 -24.34 66.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.265 -0.897 . . . . 0.0 110.245 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.35 158.47 30.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.209 -0.932 . . . . 0.0 110.271 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -56.6 -24.35 47.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.251 -0.905 . . . . 0.0 110.24 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.8 m 45.22 43.72 8.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.265 -0.897 . . . . 0.0 110.234 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.282 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 2' ' ' ASN . 47.2 tptt . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.242 0.544 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 1' ' ' LYS . 89.8 m-20 43.0 66.14 0.83 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.274 -0.891 . . . . 0.0 110.281 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -80.13 -11.0 59.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.221 -0.925 . . . . 0.0 110.268 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' A' ' 5' ' ' GLN . 81.4 m-20 -83.98 -26.22 29.38 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.24 -0.912 . . . . 0.0 110.14 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.527 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 3.8 tt0 75.44 -47.58 0.6 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.503 -0.748 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 5' ' ' GLN . 73.8 mt-10 -38.79 -30.05 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.44 -0.788 . . . . 0.0 110.202 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 5' ' ' GLN . 29.3 mtt 51.53 39.22 24.26 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.391 -0.818 . . . . 0.0 110.466 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.9 t -45.29 -78.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.218 -0.926 . . . . 0.0 110.108 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 56.5 m80 47.93 24.67 0.63 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.337 -0.852 . . . . 0.0 110.151 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -87.49 -24.29 24.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.273 -0.892 . . . . 0.0 110.143 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 11.5 m-85 -98.3 -2.62 39.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.236 -0.915 . . . . 0.0 110.229 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 15' ' ' MET . 50.6 tt0 -44.62 -43.61 8.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.096 -1.003 . . . . 0.0 109.848 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.31 -24.39 28.46 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.303 -0.873 . . . . 0.0 109.666 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.641 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 6.0 m-85 -91.26 17.0 8.86 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.394 -0.816 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.544 ' HA ' ' O ' ' A' ' 19' ' ' LYS . 20.8 ptm -94.79 131.05 41.06 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.062 -1.024 . . . . 0.0 110.372 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' LYS . 55.1 tttp -105.31 77.64 1.31 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.208 -0.932 . . . . 0.0 110.28 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 10.9 t-20 68.24 56.16 0.51 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.246 -0.909 . . . . 0.0 110.543 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.36 -28.65 7.94 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 15' ' ' MET . 1.3 tmtp? -87.02 151.38 23.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -1.149 . . . . 0.0 109.62 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.514 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 20.3 tp -124.83 118.64 26.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.234 -0.916 . . . . 0.0 110.299 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.641 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 7.0 p90 -97.58 67.64 2.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.189 -0.944 . . . . 0.0 109.846 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.62 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -47.93 -48.89 61.23 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.438 -0.789 . . . . 0.0 111.399 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.5 Cg_exo -61.12 82.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.314 -1.244 0 O-C-N 123.254 1.134 . . . . 0.0 110.738 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.534 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 10.6 tt0 -113.45 -78.31 0.58 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.476 -0.765 . . . . 0.0 109.755 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 36.7 m-20 -135.14 61.63 1.66 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.421 -0.799 . . . . 0.0 109.683 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.704 ' O ' HD11 ' A' ' 38' ' ' ILE . 62.0 mttt -53.5 -16.32 1.44 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.0 110.879 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' LYS . 80.4 mttt -41.69 -26.81 0.08 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.051 -1.031 . . . . 0.0 110.157 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 24.9 m-85 -51.0 -20.23 1.29 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.263 -0.898 . . . . 0.0 110.206 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CE1' HD11 ' A' ' 35' ' ' ILE . 13.7 t80 -44.22 -25.21 0.21 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.128 -0.982 . . . . 0.0 110.248 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 28' ' ' PHE . 15.8 mt-30 -69.1 -3.33 12.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.261 -0.899 . . . . 0.0 110.615 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.7 t -134.71 157.22 47.25 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.085 -1.009 . . . . 0.0 110.281 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.641 ' O ' HD13 ' A' ' 32' ' ' LEU . 1.8 tm? -56.53 -47.96 78.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.28 -0.888 . . . . 0.0 109.956 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -54.43 -39.28 67.2 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.369 -0.832 . . . . 0.0 108.888 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.474 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.73 -51.18 26.24 Favored Glycine 0 N--CA 1.484 1.873 0 N-CA-C 108.131 -1.988 . . . . 0.0 108.131 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.601 HD11 ' CE1' ' A' ' 29' ' ' PHE . 6.2 mm -53.49 -32.21 20.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 121.438 -1.037 . . . . 0.0 109.11 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.433 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -75.35 -66.09 0.81 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.297 -0.877 . . . . 0.0 109.98 179.496 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.637 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -50.08 -47.81 53.45 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.285 -0.884 . . . . 0.0 109.117 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 26' ' ' LYS . 7.5 mt -53.54 -36.48 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.908 -1.12 . . . . 0.0 108.966 178.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 36' ' ' MET . 1.1 m-80 -74.65 -28.96 61.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.529 -0.732 . . . . 0.0 109.532 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 44' ' ' CYS . 17.0 mttt -88.01 -25.78 22.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.355 -0.841 . . . . 0.0 109.784 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.55 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 2.5 t -42.61 -73.46 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.21 -0.931 . . . . 0.0 110.18 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.06 75.12 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.662 -0.649 . . . . 0.0 110.779 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.52 ' HB ' ' HA ' ' A' ' 40' ' ' LYS . 78.2 m -71.47 -22.5 61.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.245 -0.909 . . . . 0.0 110.296 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.549 ' N ' ' O ' ' A' ' 40' ' ' LYS . 5.2 t -89.04 -49.99 6.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.27 -0.894 . . . . 0.0 109.542 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.713 ' HA ' HD12 ' A' ' 48' ' ' LEU . 10.1 tttt -46.91 -43.48 18.97 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.36 -0.837 . . . . 0.0 109.167 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.555 ' SD ' HD13 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -61.41 -29.07 69.7 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.357 -0.839 . . . . 0.0 109.836 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.555 HD13 ' SD ' ' A' ' 46' ' ' MET . 26.6 mm -61.21 -37.2 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.3 -0.875 . . . . 0.0 109.583 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 45' ' ' LYS . 1.6 mt -67.51 -33.95 76.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.468 -0.77 . . . . 0.0 109.91 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -55.75 -18.39 8.22 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.194 -0.941 . . . . 0.0 109.794 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -90.53 -27.27 19.28 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.41 -0.806 . . . . 0.0 110.036 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.02 -27.14 65.4 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.352 -0.843 . . . . 0.0 110.23 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.91 151.95 29.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.238 -0.914 . . . . 0.0 110.158 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -68.09 -7.96 34.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.239 -0.913 . . . . 0.0 110.215 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.1 p -72.58 -7.48 50.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.229 -0.919 . . . . 0.0 110.197 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.239 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.256 0.55 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -90.05 139.86 30.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.199 -0.938 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.524 ' O ' ' CG ' ' A' ' 7' ' ' MET . 88.1 tt0 -77.31 -15.65 59.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.303 -0.873 . . . . 0.0 110.08 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -79.13 4.87 13.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.256 -0.903 . . . . 0.0 110.148 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -116.17 -26.62 7.16 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 0.0 109.659 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 7' ' ' MET . 89.0 mt-10 -141.72 44.67 1.71 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.481 -0.762 . . . . 0.0 109.686 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.524 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 85.7 mtp -41.11 -31.85 0.22 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.483 -0.761 . . . . 0.0 110.51 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 67.5 m -105.55 113.55 27.19 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.265 -0.897 . . . . 0.0 110.472 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -89.4 -14.65 35.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.275 -0.891 . . . . 0.0 110.028 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -86.1 -39.09 17.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.343 -0.848 . . . . 0.0 110.135 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.604 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 57.9 m-85 -83.18 -27.0 30.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.18 -0.95 . . . . 0.0 110.03 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.465 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 17.2 tt0 -46.24 -43.72 15.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.142 -0.974 . . . . 0.0 109.489 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.26 -18.47 61.31 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.305 -0.872 . . . . 0.0 109.77 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.643 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 14.2 m-30 -89.32 16.52 7.3 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.153 -0.967 . . . . 0.0 110.33 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.545 ' O ' ' CG ' ' A' ' 15' ' ' MET . 16.5 ptm -103.02 116.48 32.6 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.153 -0.967 . . . . 0.0 110.41 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 19' ' ' LYS . 11.6 tttt -93.38 87.47 5.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.028 -1.045 . . . . 0.0 110.03 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 77.6 m-20 58.3 52.97 6.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.338 -0.851 . . . . 0.0 110.383 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.67 -14.76 62.08 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . 6.5 tmtm? -93.61 105.15 17.22 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.082 -1.246 . . . . 0.0 110.436 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' A' ' 45' ' ' LYS . 20.5 tp -86.36 111.0 20.07 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.186 -0.946 . . . . 0.0 110.097 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.643 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 7.9 p90 -99.07 69.44 1.74 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.062 -1.024 . . . . 0.0 110.153 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.623 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -49.55 -48.07 76.73 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.483 -0.761 . . . . 0.0 111.291 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.01 73.79 0.1 OUTLIER 'Trans proline' 0 C--N 1.315 -1.225 0 O-C-N 123.228 1.12 . . . . 0.0 110.883 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' CYS . 6.5 tt0 -109.55 -42.87 4.2 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.428 -0.795 . . . . 0.0 109.403 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.575 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 53.2 t0 -171.81 61.0 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.635 -0.665 . . . . 0.0 109.456 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HA ' HD11 ' A' ' 38' ' ' ILE . 83.9 mttt -55.22 -15.17 2.12 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.421 -0.8 . . . . 0.0 110.871 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 94.6 mttt -41.16 -27.58 0.07 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.309 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 14.7 m-85 -50.32 -26.86 5.3 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.247 -0.908 . . . . 0.0 109.923 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.716 ' CE1' HD13 ' A' ' 35' ' ' ILE . 50.9 t80 -42.98 -25.46 0.1 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.351 -0.843 . . . . 0.0 110.601 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 28' ' ' PHE . 47.7 mt-30 -65.67 -7.2 14.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.322 -0.861 . . . . 0.0 110.628 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.2 m -128.77 166.43 19.03 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.117 -0.989 . . . . 0.0 110.162 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.68 -54.64 42.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.253 -0.904 . . . . 0.0 110.173 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -52.85 -36.6 59.08 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.299 -0.876 . . . . 0.0 108.885 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.498 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -72.76 -45.72 33.49 Favored Glycine 0 N--CA 1.485 1.902 0 N-CA-C 108.135 -1.986 . . . . 0.0 108.135 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.716 HD13 ' CE1' ' A' ' 29' ' ' PHE . 2.0 mm -55.21 -34.54 33.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 121.222 -1.163 . . . . 0.0 108.981 179.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.453 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 5.6 mtp -75.84 -64.75 1.02 Allowed 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.176 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.639 ' CE1' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -46.45 -48.87 18.87 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.262 -0.899 . . . . 0.0 109.107 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.639 ' CD1' ' CE1' ' A' ' 37' ' ' PHE . 24.5 mm -49.21 -41.22 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.896 -1.128 . . . . 0.0 109.198 178.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 96.5 m-20 -68.71 -34.0 74.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.442 -0.786 . . . . 0.0 110.002 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 38.3 mttt -85.01 -25.69 27.54 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.329 -0.857 . . . . 0.0 110.017 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.537 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 6.7 t -47.04 -72.25 0.06 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -0.915 . . . . 0.0 109.963 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -55.92 -33.59 64.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.467 -0.771 . . . . 0.0 110.338 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.532 ' O ' ' CG ' ' A' ' 46' ' ' MET . 28.9 m -67.68 -58.2 5.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 110.112 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 65.8 m -48.78 -33.46 10.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.123 -0.986 . . . . 0.0 109.92 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.446 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 19.4 tttp -60.55 -47.47 86.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.306 -0.871 . . . . 0.0 110.109 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -63.78 -23.39 67.34 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.239 -0.913 . . . . 0.0 110.029 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.554 ' N ' ' HG3' ' A' ' 46' ' ' MET . 26.6 mm -63.35 -41.89 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.386 -0.821 . . . . 0.0 109.6 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.66 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -66.94 -39.91 87.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.394 -0.816 . . . . 0.0 109.536 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -56.7 -26.38 56.57 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.361 -0.837 . . . . 0.0 110.087 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 46' ' ' MET . 83.7 mttt -64.66 -39.05 93.01 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.241 -0.912 . . . . 0.0 110.204 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -57.4 -26.5 61.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.278 -0.888 . . . . 0.0 110.201 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.39 -19.98 52.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.209 -0.932 . . . . 0.0 110.238 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -86.16 -24.83 26.02 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.25 -0.906 . . . . 0.0 110.176 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.0 m -79.27 -16.59 56.2 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.288 -0.883 . . . . 0.0 110.266 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 27.8 pt20 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.18 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.432 ' HE3' ' CD ' ' A' ' 51' ' ' GLU . 21.3 tptm . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.174 0.511 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -102.34 114.37 28.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.293 -0.879 . . . . 0.0 110.196 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -65.86 -8.51 22.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.279 -0.888 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -110.02 55.97 0.63 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.322 -0.861 . . . . 0.0 110.273 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.498 ' HG3' ' HG3' ' A' ' 7' ' ' MET . 10.1 pt20 -114.77 64.77 0.67 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 110.123 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 26.7 mt-10 61.41 26.51 16.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.285 -0.884 . . . . 0.0 110.133 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.498 ' HG3' ' HG3' ' A' ' 5' ' ' GLN . 67.6 mtp -75.55 140.18 42.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.275 -0.891 . . . . 0.0 110.107 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 27.8 p -92.23 -28.3 17.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.884 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.483 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 77.0 m-70 54.29 26.14 6.57 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.242 -0.911 . . . . 0.0 110.219 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 8' ' ' CYS . 76.9 mt-10 -106.31 -24.14 12.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.216 -0.927 . . . . 0.0 110.207 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.593 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 40.8 m-85 -100.56 -3.65 30.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 0.0 110.259 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.474 ' HG3' ' SD ' ' A' ' 15' ' ' MET . 56.6 tt0 -46.49 -42.31 15.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.161 -0.962 . . . . 0.0 110.044 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.54 -14.39 12.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.353 -0.842 . . . . 0.0 110.053 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.593 ' CD2' ' HA ' ' A' ' 11' ' ' PHE . 20.9 m-85 -96.44 19.9 11.41 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.253 -0.904 . . . . 0.0 110.546 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.474 ' SD ' ' HG3' ' A' ' 12' ' ' GLN . 94.3 mtp -94.39 96.07 9.28 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.193 -0.942 . . . . 0.0 110.15 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 74.0 tttt -79.93 97.46 6.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.426 -0.796 . . . . 0.0 110.223 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 15.1 t-20 61.05 59.0 2.12 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.251 -0.906 . . . . 0.0 110.139 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.1 18.91 63.15 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.506 -1.437 . . . . 0.0 109.506 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.2 tmtp? -126.92 114.08 17.39 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.215 -1.168 . . . . 0.0 110.049 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 21' ' ' PHE . 2.1 tt -83.63 116.23 22.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.244 -0.91 . . . . 0.0 110.469 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.608 ' N ' HD23 ' A' ' 20' ' ' LEU . 10.0 p90 -101.3 74.74 1.58 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.218 -0.926 . . . . 0.0 109.72 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.626 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 5.5 t -56.64 -42.76 97.93 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.351 -0.843 . . . . 0.0 111.684 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 2.8 Cg_endo -65.46 75.75 0.27 Allowed 'Trans proline' 0 C--N 1.316 -1.142 0 O-C-N 122.711 0.848 . . . . 0.0 111.069 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 22' ' ' CYS . 4.8 pt20 -119.98 -113.29 0.33 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.966 -1.084 . . . . 0.0 109.489 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.587 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 8.3 t0 -97.8 68.89 2.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.892 -1.13 . . . . 0.0 109.843 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.587 ' O ' HD11 ' A' ' 38' ' ' ILE . 86.5 mttt -64.6 -5.68 6.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -0.959 . . . . 0.0 110.953 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.456 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 91.4 mttt -41.64 -26.82 0.08 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.138 -0.976 . . . . 0.0 110.316 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 57.1 m-85 -44.78 -24.89 0.24 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.258 -0.901 . . . . 0.0 110.124 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.667 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 9.1 t80 -43.53 -24.0 0.09 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.324 -0.86 . . . . 0.0 110.831 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 28' ' ' PHE . 28.5 pt20 -69.16 -2.67 10.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.114 -0.992 . . . . 0.0 110.802 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.4 t -138.23 152.55 48.71 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.983 -1.073 . . . . 0.0 110.447 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tt -51.34 -47.52 62.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.209 -0.932 . . . . 0.0 110.011 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -54.85 -38.48 67.51 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.282 -0.886 . . . . 0.0 108.99 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.471 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -68.81 -53.42 19.7 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 108.215 -1.954 . . . . 0.0 108.215 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.667 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 3.3 mm -52.33 -30.98 14.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.242 -1.152 . . . . 0.0 108.973 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -75.26 -67.23 0.68 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.45 -0.781 . . . . 0.0 110.123 179.463 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -51.11 -45.69 61.64 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.262 -0.899 . . . . 0.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.634 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 6.5 mt -52.43 -34.52 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.828 -1.17 . . . . 0.0 109.191 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 36' ' ' MET . 0.9 OUTLIER -77.56 -35.69 52.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.437 -0.789 . . . . 0.0 109.59 179.382 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -76.5 -19.6 57.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.436 -0.79 . . . . 0.0 109.67 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.494 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -54.33 -66.03 0.47 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.372 -0.83 . . . . 0.0 109.94 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.14 -33.09 67.04 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.372 -0.83 . . . . 0.0 109.807 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.531 ' O ' ' CG ' ' A' ' 46' ' ' MET . 97.5 m -68.3 -55.57 11.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.388 -0.82 . . . . 0.0 110.226 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.405 ' HA ' HG12 ' A' ' 47' ' ' ILE . 85.3 m -62.22 -27.35 68.92 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.146 -0.971 . . . . 0.0 110.332 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -64.2 -50.23 68.89 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.233 -0.917 . . . . 0.0 110.373 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.54 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -59.35 -25.75 64.48 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.139 -0.976 . . . . 0.0 110.036 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.54 ' N ' ' HG3' ' A' ' 46' ' ' MET . 20.6 mm -57.76 -41.64 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.288 -0.883 . . . . 0.0 109.564 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.666 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.1 mm? -67.05 -38.44 85.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.344 -0.847 . . . . 0.0 109.516 179.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -62.76 -25.28 68.13 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.452 -0.78 . . . . 0.0 110.093 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 46' ' ' MET . 59.4 mtpt -65.8 -40.27 91.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.321 -0.862 . . . . 0.0 110.197 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' CD ' ' HE3' ' A' ' 1' ' ' LYS . 93.6 mt-10 -63.09 -25.06 68.19 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.139 -0.976 . . . . 0.0 110.211 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.84 -22.21 58.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.226 -0.921 . . . . 0.0 110.069 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -78.29 -36.37 46.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.253 -0.904 . . . . 0.0 110.198 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.5 m -66.81 -18.43 65.37 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.245 -0.909 . . . . 0.0 110.23 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.208 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 78.0 tttt . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.279 0.562 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.498 ' ND2' ' HB2' ' A' ' 4' ' ' ASP . 48.9 t30 -121.4 127.65 51.39 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.171 -0.955 . . . . 0.0 110.236 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -59.21 -30.93 68.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.268 -0.895 . . . . 0.0 109.992 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.498 ' HB2' ' ND2' ' A' ' 2' ' ' ASN . 85.6 m-20 -67.7 -11.95 59.45 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 109.829 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 2' ' ' ASN . 55.9 mt-30 -94.6 -43.87 8.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.511 -0.743 . . . . 0.0 109.338 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 7' ' ' MET . 72.3 mt-10 -83.9 -11.03 57.52 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.554 -0.717 . . . . 0.0 109.298 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' A' ' 6' ' ' GLU . 47.8 mtt 59.19 -160.7 0.27 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.56 -0.712 . . . . 0.0 110.545 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.2 t -133.76 120.71 20.89 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.397 -0.814 . . . . 0.0 109.984 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.516 ' HA ' ' HB2' ' A' ' 12' ' ' GLN . 86.1 m-70 -114.39 -16.36 11.97 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.273 -0.892 . . . . 0.0 110.441 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.472 ' OE1' ' HD2' ' A' ' 40' ' ' LYS . 79.7 tt0 -58.19 -46.52 85.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.203 -0.936 . . . . 0.0 110.41 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.592 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 27.1 m-85 -88.19 -7.22 57.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.294 -0.879 . . . . 0.0 110.462 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.516 ' HB2' ' HA ' ' A' ' 9' ' ' HIS . 57.8 tt0 -44.18 -47.53 9.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.133 -0.98 . . . . 0.0 110.2 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.75 -17.48 15.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.277 -0.889 . . . . 0.0 110.077 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.629 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 16.9 m-30 -90.25 13.37 15.45 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.363 -0.836 . . . . 0.0 110.511 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.541 ' HA ' ' O ' ' A' ' 19' ' ' LYS . 17.1 ptm -101.48 119.19 38.39 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.912 -1.117 . . . . 0.0 110.708 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 19' ' ' LYS . 48.6 tptt -97.33 84.96 3.55 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.209 -0.932 . . . . 0.0 109.87 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 84.3 m-20 58.85 54.73 4.97 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.459 -0.775 . . . . 0.0 110.673 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.24 -15.15 60.49 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' A' ' 15' ' ' MET . 3.9 tmtm? -94.72 128.52 41.46 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.096 -1.237 . . . . 0.0 110.183 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.526 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 28.0 tp -108.85 116.16 31.46 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.117 -0.99 . . . . 0.0 110.277 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.629 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 29.6 p90 -103.49 69.56 1.0 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.1 -1.0 . . . . 0.0 110.175 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.616 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -55.72 -47.63 98.29 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.429 -0.795 . . . . 0.0 111.573 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.41 83.98 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.22 0 O-C-N 123.224 1.118 . . . . 0.0 111.084 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.505 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 12.6 tt0 -125.97 -78.72 0.59 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.424 -0.797 . . . . 0.0 109.774 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.583 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 13.7 t0 -135.4 76.78 1.64 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.428 -0.795 . . . . 0.0 109.808 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.474 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 51.1 mttt -69.65 -2.52 11.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.277 -0.889 . . . . 0.0 110.799 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' LYS . 58.9 mmtt -42.15 -27.81 0.15 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.186 -0.946 . . . . 0.0 110.132 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.583 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 25.4 m-85 -46.74 -23.52 0.43 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.258 -0.902 . . . . 0.0 110.168 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 13.0 t80 -49.76 -19.49 0.65 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.11 -0.993 . . . . 0.0 110.588 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -63.49 -8.88 10.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.145 -0.972 . . . . 0.0 110.581 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.5 m -141.94 163.21 33.5 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.033 -1.042 . . . . 0.0 110.705 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.55 -55.32 34.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.345 -0.847 . . . . 0.0 110.355 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -52.25 -38.48 58.26 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.318 -0.864 . . . . 0.0 108.794 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.56 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.15 -42.65 50.26 Favored Glycine 0 N--CA 1.483 1.8 0 N-CA-C 108.204 -1.959 . . . . 0.0 108.204 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.514 ' CD1' ' CD2' ' A' ' 29' ' ' PHE . 3.8 mm -56.98 -33.73 42.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.425 -1.044 . . . . 0.0 109.482 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' PHE . 51.6 mmm -60.02 -60.08 4.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.161 -0.962 . . . . 0.0 110.243 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.34 -52.72 5.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.222 -0.924 . . . . 0.0 109.375 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.643 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 8.0 mt -52.33 -37.93 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.886 -1.134 . . . . 0.0 109.769 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 36' ' ' MET . 8.3 m120 -71.86 -26.53 62.4 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.37 -0.831 . . . . 0.0 109.924 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 44' ' ' CYS . 11.7 mttt -97.24 -18.23 19.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 109.778 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.545 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 10.3 t -50.62 -74.57 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.379 -0.826 . . . . 0.0 110.191 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.57 -28.78 69.87 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.465 -0.772 . . . . 0.0 110.269 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' CG ' ' A' ' 46' ' ' MET . 97.4 m -76.56 -17.79 59.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.935 . . . . 0.0 109.928 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.54 ' HA ' HG12 ' A' ' 47' ' ' ILE . 35.9 t -87.67 -45.5 10.33 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.407 -0.808 . . . . 0.0 109.653 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.508 ' HG3' ' N ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -56.59 -25.47 52.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.324 -0.86 . . . . 0.0 109.575 179.548 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.526 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.8 OUTLIER -79.11 -23.59 43.97 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.402 -0.811 . . . . 0.0 109.383 179.63 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.54 HG12 ' HA ' ' A' ' 44' ' ' CYS . 29.0 mm -63.5 -45.44 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.395 -0.816 . . . . 0.0 109.323 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 45' ' ' LYS . 1.1 mt -58.89 -36.79 75.26 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.463 -0.773 . . . . 0.0 109.739 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 46' ' ' MET . 35.5 mm-40 -46.01 -25.5 0.57 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.236 -0.915 . . . . 0.0 109.36 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -79.92 -31.59 40.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.403 -0.811 . . . . 0.0 110.034 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' LEU . 95.0 mt-10 -60.65 -25.6 66.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.24 -0.912 . . . . 0.0 110.225 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.61 -22.71 43.32 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.0 110.23 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -77.89 -32.61 51.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.233 -0.917 . . . . 0.0 110.167 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 m -75.05 -14.35 60.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.285 -0.885 . . . . 0.0 110.245 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.2 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 82.3 tttt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.293 0.568 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -98.89 131.19 45.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.185 -0.947 . . . . 0.0 110.249 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -79.9 -19.59 47.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.299 -0.876 . . . . 0.0 110.26 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 58.0 t0 -119.41 -102.66 0.42 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.205 -0.935 . . . . 0.0 110.196 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 1.1 tt0 176.62 -34.62 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.97 -1.081 . . . . 0.0 110.237 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.484 ' OE2' ' CG2' ' A' ' 43' ' ' THR . 4.9 tt0 -121.44 87.3 2.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.325 -0.86 . . . . 0.0 110.239 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 65.7 mtm -79.51 145.43 33.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.341 -0.849 . . . . 0.0 110.179 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 42.7 t -129.78 106.11 8.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.203 -0.936 . . . . 0.0 110.204 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -92.69 -16.53 25.39 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.182 -0.949 . . . . 0.0 110.197 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -66.51 -46.2 77.02 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.174 -0.954 . . . . 0.0 110.18 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.699 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 65.9 m-85 -93.68 -15.06 25.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.214 -0.929 . . . . 0.0 110.375 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 15' ' ' MET . 24.9 tt0 -44.98 -36.37 3.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.107 -0.996 . . . . 0.0 110.012 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.71 -21.89 66.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.192 -0.943 . . . . 0.0 110.014 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.585 ' CD2' ' HA ' ' A' ' 11' ' ' PHE . 5.9 m-30 -92.14 18.27 8.35 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.247 -0.908 . . . . 0.0 110.351 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.537 ' O ' ' CG ' ' A' ' 15' ' ' MET . 20.9 ptm -96.96 117.1 30.4 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.082 -1.011 . . . . 0.0 110.356 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 11.3 tttt -95.74 92.39 6.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.195 -0.941 . . . . 0.0 109.971 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 78.1 m-20 58.12 51.31 8.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.396 -0.815 . . . . 0.0 110.253 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.24 -14.46 49.94 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -94.58 106.13 18.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.153 -1.204 . . . . 0.0 110.34 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.926 HD23 ' HA ' ' A' ' 45' ' ' LYS . 57.3 tp -91.17 120.78 32.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.171 -0.956 . . . . 0.0 110.261 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.579 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 6.3 p90 -96.18 86.03 4.15 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.227 -0.921 . . . . 0.0 109.778 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 43.1 t -57.51 -41.98 93.4 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.438 -0.789 . . . . 0.0 112.025 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -63.19 72.7 0.13 Allowed 'Trans proline' 0 C--N 1.318 -1.056 0 O-C-N 122.729 0.857 . . . . 0.0 110.767 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.524 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 19.9 tt0 -105.38 -91.18 0.4 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.355 -0.841 . . . . 0.0 109.789 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.593 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 60.1 t0 -138.97 74.91 1.49 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.835 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.731 ' O ' HD11 ' A' ' 38' ' ' ILE . 79.1 mttt -60.44 -8.77 2.93 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.167 -0.958 . . . . 0.0 111.092 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' LYS . 64.7 mmtt -41.05 -27.43 0.06 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.009 -1.057 . . . . 0.0 110.604 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 23.0 m-85 -59.05 -14.41 9.64 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.197 -0.939 . . . . 0.0 110.07 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.616 ' CE1' HD11 ' A' ' 35' ' ' ILE . 12.7 t80 -51.87 -19.89 1.97 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.284 -0.885 . . . . 0.0 110.274 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.53 -0.96 14.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.324 -0.86 . . . . 0.0 110.608 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.1 m -133.99 149.58 51.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.167 -0.958 . . . . 0.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -52.8 -47.86 67.31 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 0.0 110.126 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -57.29 -43.28 83.02 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.316 -0.865 . . . . 0.0 108.953 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.47 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -69.13 -41.07 82.03 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 108.261 -1.936 . . . . 0.0 108.261 178.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.616 HD11 ' CE1' ' A' ' 29' ' ' PHE . 1.8 mm -57.5 -37.77 59.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.371 -1.076 . . . . 0.0 109.175 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.458 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 10.0 mtp -75.17 -62.53 1.52 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.346 -0.846 . . . . 0.0 110.292 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.699 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -46.95 -50.18 19.38 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.142 -0.973 . . . . 0.0 109.229 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.731 HD11 ' O ' ' A' ' 26' ' ' LYS . 5.9 mt -51.43 -39.21 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.069 -1.02 . . . . 0.0 109.196 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 36' ' ' MET . 8.2 m120 -66.84 -34.82 78.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.345 -0.847 . . . . 0.0 109.283 179.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 44' ' ' CYS . 10.6 mttt -69.94 -37.73 75.96 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.441 -0.787 . . . . 0.0 110.176 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.575 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 3.1 t -41.52 -67.4 0.26 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.262 -0.899 . . . . 0.0 110.347 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.501 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -53.54 -33.36 54.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.235 -0.916 . . . . 0.0 110.318 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.508 ' O ' ' CG ' ' A' ' 46' ' ' MET . 24.2 m -79.99 -23.85 41.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.231 -0.918 . . . . 0.0 110.209 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.519 ' HA ' HG12 ' A' ' 47' ' ' ILE . 72.7 m -86.19 -50.87 6.66 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.294 -0.879 . . . . 0.0 109.969 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.926 ' HA ' HD23 ' A' ' 20' ' ' LEU . 5.5 ptpt -50.75 -26.79 6.04 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.295 -0.878 . . . . 0.0 110.115 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.527 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 1.3 ppp? -79.05 -24.46 43.55 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.227 -0.921 . . . . 0.0 109.949 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.519 HG12 ' HA ' ' A' ' 44' ' ' CYS . 25.2 mm -62.99 -37.48 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.406 -0.809 . . . . 0.0 109.53 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.668 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -68.12 -40.04 82.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.477 -0.765 . . . . 0.0 109.66 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -65.47 -24.29 67.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.301 -0.874 . . . . 0.0 109.972 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 40.2 mttt -66.09 -43.41 87.38 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.0 110.201 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -59.79 -23.78 63.57 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.307 -0.871 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.77 151.69 40.55 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.211 -0.931 . . . . 0.0 110.188 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.52 -8.67 49.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.266 -0.896 . . . . 0.0 110.241 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.4 m -71.9 -20.41 61.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.174 -0.954 . . . . 0.0 110.185 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.218 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 74.3 mttt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.244 0.545 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -85.87 129.52 34.81 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.231 -0.918 . . . . 0.0 110.185 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 93.0 mt-10 -63.15 -25.13 68.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.238 -0.914 . . . . 0.0 110.24 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 80.7 m-20 54.55 59.93 3.84 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.291 -0.88 . . . . 0.0 110.325 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.491 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 27.5 tt0 -124.06 -14.13 7.14 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.248 -0.907 . . . . 0.0 110.069 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 91.7 mt-10 -156.83 33.53 0.3 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.425 -0.797 . . . . 0.0 109.738 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' GLU . 9.1 tpt -41.76 -60.03 1.49 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.443 -0.786 . . . . 0.0 110.337 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 t -76.47 106.76 8.29 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.219 -0.925 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -95.88 -5.09 42.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.286 -0.884 . . . . 0.0 110.263 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -79.72 -49.3 12.28 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.188 -0.945 . . . . 0.0 110.196 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.703 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 64.3 m-85 -84.46 -13.45 52.0 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.219 -0.926 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.49 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 35.3 tt0 -45.46 -44.39 12.26 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.072 -1.017 . . . . 0.0 109.802 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.68 -18.09 18.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.278 -0.889 . . . . 0.0 109.903 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.62 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 9.9 m-85 -98.26 21.36 11.05 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.311 -0.868 . . . . 0.0 110.551 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.526 ' O ' ' CG ' ' A' ' 15' ' ' MET . 16.1 ptm -95.7 103.37 15.24 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.16 -0.963 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' LYS . 11.9 tttt -83.66 95.1 8.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.101 -1.0 . . . . 0.0 110.097 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 73.0 m-80 57.33 54.69 6.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.337 -0.852 . . . . 0.0 110.194 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.55 -2.48 62.85 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' LYS . 6.6 tmtt? -105.32 105.89 16.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.175 -1.191 . . . . 0.0 110.189 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.901 HD23 ' HA ' ' A' ' 45' ' ' LYS . 15.6 tp -85.36 117.4 24.26 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.292 -0.88 . . . . 0.0 110.16 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.62 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 9.3 p90 -95.58 86.68 4.51 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.178 -0.951 . . . . 0.0 109.627 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.611 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 30.5 t -55.9 -42.64 97.13 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.493 -0.754 . . . . 0.0 111.992 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.2 Cg_exo -62.28 82.0 0.1 OUTLIER 'Trans proline' 0 C--N 1.319 -1.004 0 O-C-N 122.656 0.819 . . . . 0.0 110.808 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.531 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 21.2 tt0 -115.54 -91.26 0.53 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.331 -0.856 . . . . 0.0 109.777 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.595 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 52.5 t0 -134.96 67.69 1.49 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.204 -0.935 . . . . 0.0 109.658 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.814 ' O ' HD11 ' A' ' 38' ' ' ILE . 75.8 mttt -53.22 -13.49 0.53 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.323 -0.861 . . . . 0.0 111.359 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' LYS . 71.0 mmtt -39.83 -27.54 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.114 -0.991 . . . . 0.0 110.628 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 50.5 m-85 -53.1 -19.92 3.28 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.132 -0.98 . . . . 0.0 109.681 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CE1' HD11 ' A' ' 35' ' ' ILE . 6.4 t80 -47.72 -22.2 0.49 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.414 -0.804 . . . . 0.0 110.31 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -68.5 -4.26 14.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -0.901 . . . . 0.0 110.544 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.6 p -135.99 153.38 51.4 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.12 -0.988 . . . . 0.0 110.344 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.647 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.8 tm? -53.56 -52.13 60.73 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.278 -0.889 . . . . 0.0 110.085 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -53.26 -38.2 62.82 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.396 -0.815 . . . . 0.0 108.973 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.461 ' HA3' ' O ' ' A' ' 28' ' ' PHE . . . -71.94 -46.27 37.78 Favored Glycine 0 N--CA 1.486 2.003 0 N-CA-C 108.114 -1.994 . . . . 0.0 108.114 178.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.619 HD11 ' CE1' ' A' ' 29' ' ' PHE . 2.2 mm -56.45 -34.56 41.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.299 -1.118 . . . . 0.0 109.116 179.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.458 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 6.2 mmm -74.98 -64.36 1.07 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.286 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.703 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -47.87 -48.71 31.09 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.097 -1.002 . . . . 0.0 109.187 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.814 HD11 ' O ' ' A' ' 26' ' ' LYS . 5.0 mt -51.45 -38.85 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.037 -1.039 . . . . 0.0 109.184 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 91.8 m-20 -67.91 -37.37 81.63 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.399 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' CYS . 38.6 mttt -70.54 -31.17 68.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.511 -0.743 . . . . 0.0 109.781 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.567 ' SG ' ' CE1' ' A' ' 11' ' ' PHE . 1.6 t -43.46 -66.55 0.36 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.173 -0.954 . . . . 0.0 110.153 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.35 64.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.282 -0.886 . . . . 0.0 110.097 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.537 ' O ' ' CG ' ' A' ' 46' ' ' MET . 88.8 m -69.76 -56.05 8.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.242 -0.911 . . . . 0.0 110.106 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.51 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 49.1 m -56.66 -36.35 69.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.272 -0.892 . . . . 0.0 110.125 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.901 ' HA ' HD23 ' A' ' 20' ' ' LEU . 20.1 ttmt -55.15 -45.9 75.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -0.891 . . . . 0.0 110.445 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.548 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.01 -22.78 64.97 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.145 -0.972 . . . . 0.0 110.298 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.548 ' N ' ' HG3' ' A' ' 46' ' ' MET . 38.8 mm -59.36 -37.35 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.208 -0.932 . . . . 0.0 109.834 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.757 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.4 mm? -76.69 -39.98 50.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.844 . . . . 0.0 109.819 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.09 -27.96 68.74 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.382 -0.824 . . . . 0.0 110.106 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -66.79 -38.16 86.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.301 -0.874 . . . . 0.0 110.188 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -61.77 -21.47 64.59 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.252 -0.905 . . . . 0.0 110.195 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.79 142.52 35.26 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.164 -0.96 . . . . 0.0 110.243 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -75.42 0.36 17.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.264 -0.897 . . . . 0.0 110.259 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.3 m -73.77 -20.3 60.53 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.202 -0.936 . . . . 0.0 110.179 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.197 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 81.3 tttt . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.24 0.543 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.477 ' OD1' ' HB2' ' A' ' 4' ' ' ASP . 1.6 t-20 -117.29 123.4 46.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.212 -0.93 . . . . 0.0 110.146 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 7' ' ' MET . 74.4 mm-40 -66.31 -14.08 61.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.208 -0.932 . . . . 0.0 110.311 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.477 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 74.3 m-20 -77.14 2.57 14.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.203 -0.935 . . . . 0.0 110.257 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -122.95 -30.64 3.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.313 -0.867 . . . . 0.0 109.843 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.487 ' HB2' ' NE2' ' A' ' 9' ' ' HIS . 72.8 mm-40 -137.11 57.23 1.76 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.345 -0.847 . . . . 0.0 109.84 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 6' ' ' GLU . 49.1 mtt -42.37 -29.32 0.26 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.315 -0.866 . . . . 0.0 110.25 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 11' ' ' PHE . 9.1 t -101.85 108.83 20.44 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.194 -0.941 . . . . 0.0 110.191 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.487 ' NE2' ' HB2' ' A' ' 6' ' ' GLU . 25.2 m170 -111.56 -10.38 14.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.245 -0.909 . . . . 0.0 110.07 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' OE1' ' HD3' ' A' ' 40' ' ' LYS . 80.5 mt-10 -73.28 -44.92 58.38 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.284 -0.885 . . . . 0.0 110.226 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.609 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 37.1 m-85 -86.21 -13.57 46.52 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.282 -0.886 . . . . 0.0 110.433 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.547 ' HG3' ' CE ' ' A' ' 15' ' ' MET . 50.0 tt0 -45.23 -43.74 10.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.107 -0.995 . . . . 0.0 109.82 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.52 -19.49 48.61 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.366 -0.834 . . . . 0.0 109.907 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.643 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 15.9 m-30 -87.65 15.03 7.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.244 -0.91 . . . . 0.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.547 ' CE ' ' HG3' ' A' ' 12' ' ' GLN . 21.2 mtm -91.11 107.43 19.2 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.157 -0.964 . . . . 0.0 110.369 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.593 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 54.1 tttm -91.88 103.18 15.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.477 -0.765 . . . . 0.0 109.98 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 52.84 55.41 9.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.198 -0.939 . . . . 0.0 109.948 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.03 21.01 73.33 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 12.7 tmtt? -131.18 99.57 4.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.23 -1.159 . . . . 0.0 110.221 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.791 HD23 ' N ' ' A' ' 21' ' ' PHE . 4.0 tt -69.44 125.88 28.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.176 -0.952 . . . . 0.0 110.183 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.791 ' N ' HD23 ' A' ' 20' ' ' LEU . 6.7 p90 -107.83 81.28 1.48 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.161 -0.962 . . . . 0.0 110.251 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 7.9 t -54.01 -43.5 96.89 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.37 -0.832 . . . . 0.0 111.496 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 3.2 Cg_exo -63.03 75.29 0.12 Allowed 'Trans proline' 0 C--N 1.319 -1.021 0 O-C-N 122.778 0.883 . . . . 0.0 110.527 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.503 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 17.1 tt0 -120.22 -85.71 0.65 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.391 -0.818 . . . . 0.0 110.021 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.591 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 11.0 t0 -132.11 69.21 1.48 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.276 -0.89 . . . . 0.0 110.087 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 28' ' ' PHE . 66.4 mttt -66.21 -4.97 8.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.226 -0.921 . . . . 0.0 110.717 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 26' ' ' LYS . 43.4 mttm -40.56 -27.85 0.06 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.219 -0.925 . . . . 0.0 110.282 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 19.8 m-85 -49.84 -21.26 1.08 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.285 -0.884 . . . . 0.0 110.07 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 9.0 t80 -51.2 -19.03 1.05 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.271 -0.893 . . . . 0.0 110.619 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -67.29 -5.64 15.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.185 -0.947 . . . . 0.0 110.778 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.5 m -144.44 161.3 39.38 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.008 -1.057 . . . . 0.0 110.615 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.511 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.1 tm? -60.94 -58.04 10.1 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.334 -0.854 . . . . 0.0 110.055 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 36' ' ' MET . 59.4 m-20 -48.92 -37.28 19.44 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.57 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.89 -45.07 34.94 Favored Glycine 0 N--CA 1.482 1.745 0 N-CA-C 108.096 -2.002 . . . . 0.0 108.096 178.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' A' ' 35' ' ' ILE . 6.7 mm -56.05 -32.03 32.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.349 -1.089 . . . . 0.0 109.281 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.456 ' HB2' ' O ' ' A' ' 33' ' ' ASP . 3.2 mtt -57.64 -60.97 2.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.291 -0.881 . . . . 0.0 110.312 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -45.99 -52.06 12.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.167 -0.958 . . . . 0.0 109.531 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.642 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 10.6 mt -51.17 -34.59 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.759 -1.213 . . . . 0.0 109.728 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 35' ' ' ILE . 82.7 m-20 -82.64 -19.65 37.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.422 -0.799 . . . . 0.0 110.127 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' CYS . 61.2 tttp -90.52 -28.78 18.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.253 -0.904 . . . . 0.0 110.703 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.571 ' SG ' ' CE2' ' A' ' 11' ' ' PHE . 5.7 t -58.63 -74.17 0.07 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.107 -0.996 . . . . 0.0 110.584 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.3 -34.95 1.32 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.02 -1.05 . . . . 0.0 110.094 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.492 ' O ' ' HG3' ' A' ' 46' ' ' MET . 98.4 m -79.59 -24.73 41.82 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.302 -0.874 . . . . 0.0 109.516 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.535 ' HA ' HG12 ' A' ' 47' ' ' ILE . 10.1 t -85.16 -43.51 13.77 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.48 -0.763 . . . . 0.0 109.547 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.551 ' HA ' HD12 ' A' ' 48' ' ' LEU . 27.8 tttt -51.91 -45.09 64.11 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.318 -0.864 . . . . 0.0 109.867 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.492 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.5 OUTLIER -60.34 -26.83 66.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.261 -0.899 . . . . 0.0 109.931 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.535 HG12 ' HA ' ' A' ' 44' ' ' CYS . 24.4 mm -57.49 -36.98 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.24 -0.912 . . . . 0.0 109.517 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 45' ' ' LYS . 1.2 mt -72.09 -41.63 67.07 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.385 -0.822 . . . . 0.0 109.822 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -48.16 -24.21 1.07 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.222 -0.924 . . . . 0.0 109.689 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 47' ' ' ILE . 18.2 pttt -110.34 -12.74 14.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.42 -0.8 . . . . 0.0 110.09 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.498 ' OE1' HD23 ' A' ' 48' ' ' LEU . 52.0 tt0 -53.08 -29.49 30.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.181 -0.949 . . . . 0.0 109.883 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.91 161.33 25.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.342 -0.848 . . . . 0.0 110.057 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -84.56 -9.89 57.9 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.297 -0.877 . . . . 0.0 110.203 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.2 p -73.24 -21.09 60.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.286 -0.884 . . . . 0.0 110.195 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 94.9 mt-30 . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.238 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.5 mttm . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.291 0.567 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -109.83 148.36 31.64 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.191 -0.943 . . . . 0.0 110.218 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 4' ' ' ASP . 54.8 mm-40 -64.14 -24.71 67.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.263 -0.898 . . . . 0.0 110.114 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.441 ' OD1' HD12 ' A' ' 47' ' ' ILE . 9.9 t0 41.73 48.77 3.74 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.313 -0.867 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.424 ' O ' ' HB2' ' A' ' 6' ' ' GLU . 39.8 tt0 -100.48 91.28 4.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.244 -0.91 . . . . 0.0 110.119 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.584 ' HB3' ' CE1' ' A' ' 9' ' ' HIS . 56.9 mt-10 57.03 45.5 20.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.215 -0.928 . . . . 0.0 110.102 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.6 mmt -61.42 -20.7 63.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.292 -0.88 . . . . 0.0 110.323 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 p -126.91 127.08 44.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 110.376 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.584 ' CE1' ' HB3' ' A' ' 6' ' ' GLU . 93.5 m-70 -115.93 -19.69 10.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.292 -0.88 . . . . 0.0 110.115 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -74.74 -45.93 40.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.254 -0.904 . . . . 0.0 110.197 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.689 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 62.8 m-85 -67.19 -37.53 83.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.215 -0.928 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.497 ' O ' ' CG ' ' A' ' 15' ' ' MET . 40.2 tt0 -46.59 -48.34 19.66 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.058 -1.026 . . . . 0.0 109.053 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.94 -19.64 13.02 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.309 -0.87 . . . . 0.0 109.455 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.618 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 14.1 m-30 -89.4 12.9 14.99 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.265 -0.897 . . . . 0.0 110.405 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.545 ' O ' ' CG ' ' A' ' 15' ' ' MET . 14.0 ptm -92.76 103.92 16.24 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.055 -1.028 . . . . 0.0 110.381 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 19' ' ' LYS . 11.9 ttmt -87.3 91.96 8.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.117 -0.99 . . . . 0.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 76.0 m-20 57.67 53.15 7.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.29 -0.881 . . . . 0.0 110.178 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.49 -3.38 85.15 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . 6.6 tmtm? -101.35 102.76 13.66 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.126 -1.22 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.737 HD12 HD11 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -89.83 103.99 16.59 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.252 -0.905 . . . . 0.0 110.073 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CZ ' ' HA ' ' A' ' 14' ' ' PHE . 8.0 p90 -87.54 69.21 9.76 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.139 -0.976 . . . . 0.0 110.01 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.622 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -45.11 -50.26 27.97 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.434 -0.791 . . . . 0.0 111.493 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.7 Cg_exo -59.2 78.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.315 -1.227 0 O-C-N 123.165 1.087 . . . . 0.0 110.809 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.508 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 9.3 tt0 -105.94 -89.29 0.43 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.543 -0.723 . . . . 0.0 109.488 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.58 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 41.6 t0 -130.6 70.14 1.45 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.292 -0.88 . . . . 0.0 109.532 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.635 ' O ' HD11 ' A' ' 38' ' ' ILE . 25.4 mttt -54.98 -14.39 1.47 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.341 -0.85 . . . . 0.0 111.019 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' LYS . 27.1 mmtp -41.42 -26.84 0.07 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.102 -0.998 . . . . 0.0 110.289 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 31.2 m-85 -54.12 -18.25 3.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.145 -0.972 . . . . 0.0 110.002 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.726 ' CE1' HD11 ' A' ' 35' ' ' ILE . 20.7 t80 -49.42 -20.83 0.77 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.229 -0.919 . . . . 0.0 110.448 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -70.21 -1.97 11.82 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.209 -0.932 . . . . 0.0 110.701 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.4 m -136.41 149.12 48.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.128 -0.982 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.571 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -52.08 -47.01 65.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.25 -0.906 . . . . 0.0 110.123 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -56.93 -41.65 78.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.375 -0.828 . . . . 0.0 109.119 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.466 ' O ' HG13 ' A' ' 38' ' ' ILE . . . -68.51 -45.69 66.41 Favored Glycine 0 N--CA 1.485 1.944 0 N-CA-C 108.273 -1.931 . . . . 0.0 108.273 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.726 HD11 ' CE1' ' A' ' 29' ' ' PHE . 4.8 mm -55.38 -36.72 41.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 121.373 -1.075 . . . . 0.0 109.157 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.453 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 2.6 mtt -69.21 -65.41 0.71 Allowed 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.93 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.689 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -48.29 -51.14 27.19 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 119.444 -0.902 . . . . 0.0 108.934 179.753 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.635 HD11 ' O ' ' A' ' 26' ' ' LYS . 8.1 mt -48.7 -37.67 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.152 -0.968 . . . . 0.0 109.192 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 36' ' ' MET . 2.9 m120 -73.17 -31.18 64.07 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.437 -0.789 . . . . 0.0 109.152 179.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' CYS . 18.9 mttt -77.33 -30.98 54.23 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.469 -0.769 . . . . 0.0 109.364 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.581 ' CA ' ' CZ ' ' A' ' 11' ' ' PHE . 2.2 t -41.09 -72.7 0.06 Allowed 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.556 0.693 . . . . 0.0 109.949 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.65 -32.47 59.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.609 -0.682 . . . . 0.0 110.391 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.526 ' O ' ' CG ' ' A' ' 46' ' ' MET . 25.5 m -69.08 -58.72 3.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.187 -0.946 . . . . 0.0 110.106 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.519 ' O ' HD12 ' A' ' 48' ' ' LEU . 10.6 t -49.56 -37.12 25.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.218 -0.926 . . . . 0.0 110.197 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HA ' HD12 ' A' ' 48' ' ' LEU . 37.8 tttt -57.78 -46.9 83.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.342 -0.848 . . . . 0.0 110.49 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.581 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -66.98 -24.64 66.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.1 -1.0 . . . . 0.0 110.238 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.581 ' N ' ' HG3' ' A' ' 46' ' ' MET . 17.9 mm -63.15 -37.13 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.241 -0.912 . . . . 0.0 109.34 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.737 HD11 HD12 ' A' ' 20' ' ' LEU . 1.1 mt -68.02 -36.63 80.25 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.514 -0.741 . . . . 0.0 109.631 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' LEU . 93.4 mt-10 -46.09 -25.8 0.64 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.279 -0.888 . . . . 0.0 109.085 179.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -78.62 -30.94 46.79 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.512 -0.742 . . . . 0.0 109.927 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' LEU . 78.1 mm-40 -59.63 -25.28 64.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.171 -0.956 . . . . 0.0 110.182 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.98 -23.47 41.56 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.311 -0.868 . . . . 0.0 110.173 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -74.35 -32.75 62.9 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.239 -0.913 . . . . 0.0 110.317 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -75.17 -12.3 60.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.195 -0.941 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.216 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.227 0.537 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -96.49 142.87 28.05 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.232 -0.917 . . . . 0.0 110.192 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 1.8 pm0 -54.95 -27.81 46.46 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.294 -0.879 . . . . 0.0 110.2 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 5' ' ' GLN . 58.0 m-20 56.27 35.03 25.1 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.33 -0.856 . . . . 0.0 110.229 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.494 ' HG3' ' N ' ' A' ' 6' ' ' GLU . 17.5 pt20 -177.14 -32.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.293 -0.88 . . . . 0.0 110.246 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.494 ' N ' ' HG3' ' A' ' 5' ' ' GLN . 59.1 mt-10 -115.84 90.34 3.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.285 -0.885 . . . . 0.0 110.229 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.443 ' CE ' ' HA ' ' A' ' 7' ' ' MET . 32.6 mmt -42.52 -49.61 5.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.305 -0.872 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' ' 11' ' ' PHE . 42.5 t -78.76 147.95 33.17 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.287 -0.883 . . . . 0.0 110.147 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -162.49 -36.67 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.248 -0.907 . . . . 0.0 110.324 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.439 ' CG ' ' CD2' ' A' ' 11' ' ' PHE . 16.0 pt-20 -85.62 -25.41 26.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.301 -0.874 . . . . 0.0 110.284 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.591 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 79.7 m-85 -83.52 -18.24 39.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.194 -0.942 . . . . 0.0 110.127 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.532 ' O ' ' HE2' ' A' ' 15' ' ' MET . 29.9 tt0 -44.65 -45.82 9.85 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.208 -0.933 . . . . 0.0 109.881 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.49 -19.55 57.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.291 -0.881 . . . . 0.0 110.042 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 11' ' ' PHE . 17.0 m-30 -88.66 15.18 8.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.204 -0.935 . . . . 0.0 110.455 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.532 ' HE2' ' O ' ' A' ' 12' ' ' GLN . 23.3 mtm -86.11 128.41 34.87 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.119 -0.988 . . . . 0.0 110.426 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -112.09 99.65 8.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.473 -0.767 . . . . 0.0 110.052 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 52.67 52.11 14.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.241 -0.912 . . . . 0.0 110.005 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.49 18.34 79.87 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.431 ' HD2' ' C ' ' A' ' 19' ' ' LYS . 3.4 tmmm? -128.13 99.97 5.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.209 -1.171 . . . . 0.0 110.224 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.955 HD12 ' HA ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -81.83 115.93 21.27 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.304 -0.872 . . . . 0.0 109.979 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.625 ' N ' HD22 ' A' ' 20' ' ' LEU . 9.5 p90 -94.42 86.07 4.76 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.166 -0.959 . . . . 0.0 109.999 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.633 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 2.1 t -57.64 -42.84 97.71 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.359 -0.838 . . . . 0.0 111.528 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 22' ' ' CYS . 2.7 Cg_endo -66.08 82.75 0.26 Allowed 'Trans proline' 0 C--N 1.315 -1.23 0 O-C-N 122.805 0.898 . . . . 0.0 111.132 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.53 ' OE1' ' CD2' ' A' ' 14' ' ' PHE . 4.2 pt20 -128.96 -110.44 0.27 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.106 -0.996 . . . . 0.0 109.711 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.575 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 39.1 m-20 -90.5 67.64 6.58 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.801 -1.187 . . . . 0.0 110.007 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 4.2 mtmp? -65.19 -5.62 7.32 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.191 -0.943 . . . . 0.0 111.055 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' LYS . 63.5 mmtt -44.33 -25.22 0.22 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.007 -1.058 . . . . 0.0 110.064 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.575 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 21.6 m-85 -48.15 -22.24 0.61 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.277 -0.89 . . . . 0.0 110.275 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 14.5 t80 -55.75 -15.91 3.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.227 -0.921 . . . . 0.0 110.56 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -68.33 -7.65 33.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.156 -0.965 . . . . 0.0 110.825 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.47 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 16.7 t -148.0 164.13 34.73 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.027 -1.045 . . . . 0.0 110.602 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.595 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.8 tm? -68.06 -53.84 22.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.294 -0.879 . . . . 0.0 110.149 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 36' ' ' MET . 55.8 t0 -54.79 -41.54 70.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.289 -0.882 . . . . 0.0 108.81 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.53 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -72.09 -37.49 60.0 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 107.785 -2.126 . . . . 0.0 107.785 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.588 HD13 HD12 ' A' ' 38' ' ' ILE . 1.7 mm -60.12 -39.54 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.571 -0.958 . . . . 0.0 109.441 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.452 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 68.2 mmm -43.38 -51.02 6.69 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.343 -0.848 . . . . 0.0 110.199 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -47.12 -47.31 23.35 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.184 -0.948 . . . . 0.0 109.566 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.636 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 8.9 mt -52.09 -39.21 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.766 -1.209 . . . . 0.0 109.78 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 36' ' ' MET . 96.7 m-20 -65.0 -39.23 93.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.358 -0.839 . . . . 0.0 109.843 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 44' ' ' CYS . 17.2 mttt -84.78 -22.47 29.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.442 -0.786 . . . . 0.0 110.022 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.489 ' SG ' ' CE1' ' A' ' 11' ' ' PHE . 1.2 t -60.21 -60.13 4.3 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.279 -0.888 . . . . 0.0 110.072 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -63.56 -31.52 72.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.299 -0.875 . . . . 0.0 110.236 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.522 ' O ' ' CG ' ' A' ' 46' ' ' MET . 91.5 m -79.71 -27.54 40.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.185 -0.947 . . . . 0.0 110.178 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.538 ' HA ' HG12 ' A' ' 47' ' ' ILE . 15.7 t -88.51 -46.45 9.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.235 -0.915 . . . . 0.0 110.19 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.955 ' HA ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -53.67 -26.9 24.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.209 -0.932 . . . . 0.0 110.216 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.522 ' CG ' ' O ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -77.52 -24.43 49.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.324 -0.86 . . . . 0.0 109.69 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.538 HG12 ' HA ' ' A' ' 44' ' ' CYS . 16.8 mm -64.51 -24.87 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.362 -0.836 . . . . 0.0 109.619 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.73 HD22 ' N ' ' A' ' 48' ' ' LEU . 2.6 mm? -82.02 -39.43 23.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.331 -0.856 . . . . 0.0 109.645 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.25 -26.73 67.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.414 -0.804 . . . . 0.0 110.195 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -60.75 -46.94 88.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.229 -0.919 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -54.14 -26.44 27.64 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.221 -0.925 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.77 -20.91 45.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.284 -0.885 . . . . 0.0 110.222 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -74.87 -27.6 60.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.27 -0.894 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 t -72.69 -17.32 61.65 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.2 -0.938 . . . . 0.0 110.212 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.227 179.92 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 88.5 mttt . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.185 0.516 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -118.74 143.32 46.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.302 -0.874 . . . . 0.0 110.24 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -61.04 -26.34 67.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.233 -0.917 . . . . 0.0 110.0 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -72.59 -5.16 35.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.353 -0.842 . . . . 0.0 110.04 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -87.58 -39.94 14.67 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.328 -0.858 . . . . 0.0 109.153 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.716 ' HB3' HD12 ' A' ' 47' ' ' ILE . 48.1 mm-40 -93.39 -7.3 45.04 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.557 0.694 . . . . 0.0 109.171 178.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.44 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 37.4 mtm 50.58 65.16 1.54 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.559 -0.713 . . . . 0.0 110.405 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 7' ' ' MET . 54.4 m -152.78 109.37 3.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.257 -0.902 . . . . 0.0 110.171 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -127.35 -50.7 1.4 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.306 -0.871 . . . . 0.0 110.226 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -66.75 -45.58 78.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.254 -0.904 . . . . 0.0 110.22 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.596 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 69.4 m-85 -59.64 -47.13 86.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.259 -0.9 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 15' ' ' MET . 14.2 tt0 -48.29 -37.96 17.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.052 -1.03 . . . . 0.0 109.596 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.55 -15.5 63.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.337 -0.852 . . . . 0.0 109.538 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 11' ' ' PHE . 14.8 m-30 -85.09 15.07 4.36 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.358 -0.839 . . . . 0.0 110.042 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 82.4 mtp -85.93 89.13 7.7 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.164 -0.96 . . . . 0.0 110.028 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 19' ' ' LYS . 76.4 tttt -79.97 103.33 9.78 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.413 -0.804 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 55.14 59.1 4.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.194 -0.941 . . . . 0.0 109.847 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.96 21.66 63.8 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 11.1 tmtt? -126.09 96.01 4.59 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.334 -1.098 . . . . 0.0 110.16 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 45' ' ' LYS . 8.0 tp -73.59 108.84 6.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.23 -0.918 . . . . 0.0 110.068 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 14' ' ' PHE . 27.8 p90 -96.06 76.3 3.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.172 -0.955 . . . . 0.0 110.06 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.611 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -58.23 -47.42 98.85 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.371 -0.831 . . . . 0.0 111.506 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.3 Cg_exo -62.61 83.86 0.11 Allowed 'Trans proline' 0 C--N 1.314 -1.259 0 O-C-N 123.247 1.13 . . . . 0.0 110.973 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.506 ' HG2' ' N ' ' A' ' 25' ' ' ASP . 14.5 tt0 -124.29 -78.76 0.6 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.459 -0.776 . . . . 0.0 109.878 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.585 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 26.5 t0 -129.73 74.14 1.57 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.441 -0.787 . . . . 0.0 109.926 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 37' ' ' PHE . 16.6 mttt -66.38 -5.22 10.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.187 -0.946 . . . . 0.0 110.774 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LYS . 44.4 mttp -42.53 -26.56 0.12 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.056 -1.028 . . . . 0.0 110.215 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 21.5 m-85 -53.11 -18.85 2.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -0.878 . . . . 0.0 110.114 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.703 ' HB2' HD11 ' A' ' 38' ' ' ILE . 3.5 t80 -55.87 -18.06 7.92 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.298 -0.877 . . . . 0.0 110.534 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -63.67 -12.58 35.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.141 -0.974 . . . . 0.0 110.81 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.468 ' O ' ' HB ' ' A' ' 35' ' ' ILE . 13.6 t -133.51 154.09 51.11 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.043 -1.036 . . . . 0.0 110.672 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.741 HD23 ' O ' ' A' ' 32' ' ' LEU . 1.3 tt -61.4 -32.51 72.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.279 -0.888 . . . . 0.0 109.967 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -82.88 -40.11 20.67 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.393 -0.817 . . . . 0.0 109.701 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.561 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -73.16 -33.17 59.54 Favored Glycine 0 N--CA 1.486 1.973 0 N-CA-C 108.631 -1.788 . . . . 0.0 108.631 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.61 HG13 ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -74.11 -41.72 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.412 -1.052 . . . . 0.0 109.373 179.254 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.546 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 13.5 mtp -40.67 -40.88 1.39 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.914 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.636 ' CE1' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -50.27 -41.61 50.78 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.945 179.586 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.703 HD11 ' HB2' ' A' ' 29' ' ' PHE . 29.7 mt -53.71 -46.19 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.956 -1.09 . . . . 0.0 109.233 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -59.14 -33.59 71.07 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.638 -0.663 . . . . 0.0 109.921 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 41.7 mttt -90.61 -24.97 20.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.379 -0.826 . . . . 0.0 109.937 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.484 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 7.3 t -50.22 -75.34 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.287 -0.883 . . . . 0.0 110.192 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 45' ' ' LYS . . . -52.76 -38.71 61.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.353 -0.842 . . . . 0.0 110.166 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.524 ' O ' ' CG ' ' A' ' 46' ' ' MET . 11.0 m -62.29 -59.64 4.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.211 -0.931 . . . . 0.0 109.957 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.478 ' HA ' ' CG1' ' A' ' 47' ' ' ILE . 94.5 m -44.11 -42.89 6.59 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.161 -0.962 . . . . 0.0 109.855 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 27.2 tttt -52.5 -44.54 65.74 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.287 -0.883 . . . . 0.0 110.198 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.573 ' HG3' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -72.83 -23.32 60.75 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.077 -1.015 . . . . 0.0 110.026 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.716 HD12 ' HB3' ' A' ' 6' ' ' GLU . 44.1 mm -61.25 -39.91 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.349 -0.844 . . . . 0.0 109.425 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.656 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.4 mm? -66.98 -39.99 87.31 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.452 -0.78 . . . . 0.0 109.322 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -60.3 -23.78 64.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.452 -0.78 . . . . 0.0 109.923 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 46' ' ' MET . 48.7 mttm -66.04 -39.86 90.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.33 -0.856 . . . . 0.0 110.172 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -53.56 -25.24 16.27 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.296 -0.877 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 55' ' ' GLN . . . -79.28 141.73 36.79 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.168 -0.957 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -60.15 -15.6 25.29 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.264 -0.898 . . . . 0.0 110.201 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.3 p -68.89 -22.62 64.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.21 -0.931 . . . . 0.0 110.211 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 50' ' ' LYS . 47.0 tt0 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.2 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.25 0.548 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -93.59 134.68 35.62 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.256 -0.902 . . . . 0.0 110.205 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.97 -24.87 63.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.194 -0.941 . . . . 0.0 110.178 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.484 ' O ' ' HB2' ' A' ' 5' ' ' GLN . 66.1 t0 -75.1 -26.15 59.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.301 -0.874 . . . . 0.0 110.208 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 7' ' ' MET . 70.2 mt-30 58.82 -85.26 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.389 -0.819 . . . . 0.0 109.649 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 4' ' ' ASP . 81.7 mt-10 -68.76 60.61 0.1 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.188 -0.945 . . . . 0.0 109.09 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.625 ' HB2' HG21 ' A' ' 47' ' ' ILE . 81.6 mtp -39.75 -40.26 0.91 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.614 -0.679 . . . . 0.0 110.545 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.4 m -94.51 141.42 28.61 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.882 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.556 ' CE1' ' HG3' ' A' ' 10' ' ' GLU . 27.1 p80 -111.9 -13.42 13.65 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.307 -0.87 . . . . 0.0 110.159 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.556 ' HG3' ' CE1' ' A' ' 9' ' ' HIS . 72.7 mt-10 -77.47 -45.51 25.43 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.251 -0.905 . . . . 0.0 110.139 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.529 ' CZ ' ' CD2' ' A' ' 37' ' ' PHE . 51.6 m-85 -77.2 -16.79 58.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.208 -0.933 . . . . 0.0 110.268 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.538 ' O ' ' HE2' ' A' ' 15' ' ' MET . 39.1 tt0 -47.32 -37.42 10.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.049 -1.032 . . . . 0.0 109.785 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.7 -14.79 62.59 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.219 -0.926 . . . . 0.0 109.849 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.587 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 8.7 m-30 -87.5 16.96 4.89 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.209 -0.932 . . . . 0.0 109.949 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.538 ' HE2' ' O ' ' A' ' 12' ' ' GLN . 52.8 mtm -85.98 144.3 27.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.272 -0.892 . . . . 0.0 110.465 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.596 ' HB2' ' CD2' ' A' ' 21' ' ' PHE . 2.9 tttp -125.84 96.38 4.74 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.491 -0.756 . . . . 0.0 109.809 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 51.37 48.65 22.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.245 -0.909 . . . . 0.0 109.719 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.99 16.31 77.14 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 16' ' ' LYS . 8.3 tmtt? -129.22 109.4 11.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.259 -1.142 . . . . 0.0 110.236 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.755 HD23 ' N ' ' A' ' 21' ' ' PHE . 2.0 tt -80.62 124.41 28.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.181 -0.95 . . . . 0.0 110.137 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.755 ' N ' HD23 ' A' ' 20' ' ' LEU . 9.0 p90 -107.01 75.72 1.05 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.216 -0.927 . . . . 0.0 109.971 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.616 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 2.2 t -51.96 -45.4 92.92 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.42 -0.8 . . . . 0.0 111.325 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -61.83 70.36 0.1 Allowed 'Trans proline' 0 C--N 1.318 -1.044 0 O-C-N 122.912 0.954 . . . . 0.0 110.804 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 22' ' ' CYS . 11.5 tt0 -106.91 -74.02 0.67 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.354 -0.841 . . . . 0.0 109.754 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.584 ' O ' ' CD2' ' A' ' 28' ' ' PHE . 50.4 m-20 -146.48 65.38 1.19 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.507 -0.745 . . . . 0.0 109.552 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.575 ' CA ' HD11 ' A' ' 38' ' ' ILE . 83.7 mttt -57.85 -12.16 2.9 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.377 -0.827 . . . . 0.0 110.966 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' LYS . 70.8 mmtt -41.58 -27.1 0.09 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.248 -0.907 . . . . 0.0 110.162 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 25' ' ' ASP . 15.4 m-85 -52.29 -25.85 10.56 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.227 -0.921 . . . . 0.0 110.015 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.602 ' CD1' HD13 ' A' ' 35' ' ' ILE . 62.4 t80 -41.35 -26.29 0.06 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.404 -0.81 . . . . 0.0 110.519 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 28' ' ' PHE . 36.9 mt-30 -65.36 -7.39 13.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.243 -0.911 . . . . 0.0 110.64 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -130.51 149.96 51.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.118 -0.989 . . . . 0.0 110.275 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HA ' ' HB ' ' A' ' 35' ' ' ILE . 13.5 tp -47.03 -55.19 8.64 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.202 -0.936 . . . . 0.0 110.174 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -50.72 -38.02 44.94 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.223 -0.923 . . . . 0.0 108.579 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.498 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -73.23 -44.3 35.56 Favored Glycine 0 N--CA 1.483 1.795 0 N-CA-C 107.859 -2.096 . . . . 0.0 107.859 178.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.602 HD13 ' CD1' ' A' ' 29' ' ' PHE . 1.7 mm -55.35 -36.71 41.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.301 -1.117 . . . . 0.0 108.742 178.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' PHE . 12.8 mmm -74.41 -64.97 0.91 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.629 -0.829 . . . . 0.0 110.015 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -44.96 -50.23 10.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.133 -0.98 . . . . 0.0 109.043 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.614 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 22.2 mm -47.82 -41.44 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.867 -1.146 . . . . 0.0 109.305 178.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 35' ' ' ILE . 5.5 m120 -71.18 -31.23 67.39 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.526 -0.734 . . . . 0.0 110.011 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.522 ' HA ' ' HB ' ' A' ' 43' ' ' THR . 16.3 mtpt -84.85 -17.97 36.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.867 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -55.5 -63.83 1.04 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.107 -0.996 . . . . 0.0 110.199 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' A' ' 46' ' ' MET . . . -75.54 -30.91 59.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 110.217 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.522 ' HB ' ' HA ' ' A' ' 40' ' ' LYS . 98.2 m -69.22 -31.82 70.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.378 -0.826 . . . . 0.0 110.335 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.521 ' HA ' HG12 ' A' ' 47' ' ' ILE . 88.7 m -86.09 -39.89 16.28 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.213 -0.93 . . . . 0.0 109.963 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.603 ' HA ' HD12 ' A' ' 48' ' ' LEU . 11.1 ttmm -55.0 -46.25 75.15 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.191 -0.943 . . . . 0.0 109.729 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.543 ' SD ' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -58.9 -31.09 68.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.319 -0.863 . . . . 0.0 110.107 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.625 HG21 ' HB2' ' A' ' 7' ' ' MET . 14.6 mm -56.48 -37.94 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.24 -0.912 . . . . 0.0 109.602 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 45' ' ' LYS . 1.8 mt -68.77 -41.38 78.9 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.37 -0.831 . . . . 0.0 109.681 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -49.23 -23.13 1.22 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.716 -0.794 . . . . 0.0 109.631 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -78.84 -31.26 45.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.425 -0.797 . . . . 0.0 109.893 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.03 -21.8 65.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.23 -0.919 . . . . 0.0 110.122 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.32 -21.73 55.83 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.295 -0.878 . . . . 0.0 110.192 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -81.95 -28.26 32.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.187 -0.946 . . . . 0.0 110.194 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.3 m 49.06 49.09 20.06 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.191 -0.943 . . . . 0.0 110.118 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.232 179.972 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.242 0.544 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -70.43 156.48 39.29 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.294 -0.879 . . . . 0.0 110.19 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -71.92 -22.48 61.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.321 -0.862 . . . . 0.0 110.159 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 6' ' ' GLU . 98.7 m-20 -71.98 -31.89 66.71 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.299 -0.876 . . . . 0.0 110.204 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.482 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 18.9 tt0 63.33 -70.52 0.06 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.381 -0.825 . . . . 0.0 110.529 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 4' ' ' ASP . 78.6 mm-40 -58.37 -29.97 66.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.276 -0.89 . . . . 0.0 110.269 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.746 ' HE2' ' HB2' ' A' ' 9' ' ' HIS . 18.6 ttt 56.16 104.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.3 -0.875 . . . . 0.0 110.209 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' HIS . 0.9 OUTLIER -77.26 1.89 17.25 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.238 -0.913 . . . . 0.0 110.184 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.746 ' HB2' ' HE2' ' A' ' 7' ' ' MET . 84.2 t60 -41.65 -41.46 2.23 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.321 -0.862 . . . . 0.0 110.301 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -56.2 -41.86 76.26 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.168 -0.958 . . . . 0.0 110.155 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.591 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 7.3 m-85 -97.27 -9.44 27.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.163 -0.961 . . . . 0.0 110.2 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.458 ' O ' ' SD ' ' A' ' 15' ' ' MET . 5.7 tp60 -46.23 -28.62 1.32 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.09 -1.006 . . . . 0.0 109.607 179.778 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.22 -23.82 61.29 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.273 -0.892 . . . . 0.0 109.702 179.618 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 11' ' ' PHE . 10.5 m-85 -90.39 18.56 6.01 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.317 -0.865 . . . . 0.0 110.142 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.529 ' O ' ' CG ' ' A' ' 15' ' ' MET . 19.6 ptt? -95.99 119.89 35.29 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.172 -0.955 . . . . 0.0 110.299 -179.824 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 84.8 tttt -96.52 89.72 5.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.184 -0.948 . . . . 0.0 110.105 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.446 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 16.7 t-20 64.08 52.48 2.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.24 -0.912 . . . . 0.0 110.23 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.22 -1.54 75.1 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -107.21 102.83 12.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.183 -1.186 . . . . 0.0 110.211 -179.961 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.5 tm? -82.0 114.92 20.9 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.223 -0.923 . . . . 0.0 110.18 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.589 ' CE2' ' O ' ' A' ' 14' ' ' PHE . 11.6 p90 -97.37 86.72 3.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -0.912 . . . . 0.0 109.849 179.529 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.61 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 2.7 t -50.79 -45.91 86.74 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.336 -0.853 . . . . 0.0 111.183 -179.847 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 22' ' ' CYS . 3.1 Cg_exo -62.38 82.11 0.1 Allowed 'Trans proline' 0 C--N 1.318 -1.063 0 O-C-N 122.859 0.926 . . . . 0.0 110.802 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.452 ' O ' ' HB3' ' A' ' 25' ' ' ASP . 12.4 tt0 -129.96 77.59 1.8 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.323 -0.86 . . . . 0.0 109.591 179.481 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' CE2' ' A' ' 28' ' ' PHE . 35.2 t0 56.45 54.57 7.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.371 -0.831 . . . . 0.0 109.583 -179.38 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.543 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 75.8 mttt -57.13 -12.41 2.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.428 -0.795 . . . . 0.0 110.888 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HB2' ' OD1' ' A' ' 25' ' ' ASP . 66.2 mmtt -40.69 -26.08 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.283 -0.886 . . . . 0.0 110.439 179.781 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 25' ' ' ASP . 8.2 m-85 -41.4 -28.11 0.11 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.375 -0.828 . . . . 0.0 109.888 179.735 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.629 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 6.1 t80 -41.95 -25.63 0.07 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.413 -0.805 . . . . 0.0 110.611 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' PHE . 28.5 mt-30 -63.93 -8.9 12.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.237 -0.914 . . . . 0.0 110.584 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 71.1 m -136.66 146.73 46.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.123 -0.986 . . . . 0.0 110.439 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tt -47.06 -57.72 4.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.264 -0.898 . . . . 0.0 110.008 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -51.32 -35.95 40.43 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.407 -0.808 . . . . 0.0 108.858 179.604 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.544 ' CA ' ' HB3' ' A' ' 28' ' ' PHE . . . -73.29 -42.93 40.58 Favored Glycine 0 N--CA 1.485 1.956 0 N-CA-C 108.227 -1.949 . . . . 0.0 108.227 178.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.629 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 2.5 mm -59.17 -34.61 54.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.268 -1.137 . . . . 0.0 109.464 179.221 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.445 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 8.5 mtp -62.01 -59.52 4.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.266 -0.896 . . . . 0.0 110.224 179.69 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.655 ' CD1' ' N ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -43.33 -54.18 4.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.23 -0.919 . . . . 0.0 109.538 -179.7 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.655 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 9.8 mt -50.52 -39.1 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.758 -1.214 . . . . 0.0 109.667 179.291 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 36' ' ' MET . 46.4 m-20 -62.43 -38.54 90.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.334 -0.853 . . . . 0.0 109.577 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 44' ' ' CYS . 7.9 mttp -87.65 -18.37 29.75 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.487 -0.758 . . . . 0.0 109.882 179.528 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -56.22 -67.74 0.27 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.303 -0.873 . . . . 0.0 110.172 179.936 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.469 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -66.12 -27.83 68.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.248 -0.907 . . . . 0.0 110.476 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.508 ' O ' ' CG ' ' A' ' 46' ' ' MET . 77.6 m -80.14 -18.87 48.6 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.142 -0.974 . . . . 0.0 110.217 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 40' ' ' LYS . 54.1 t -92.3 -51.84 4.96 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.287 -0.883 . . . . 0.0 110.301 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.524 ' HG3' ' N ' ' A' ' 46' ' ' MET . 2.2 ptpt -53.3 -25.99 16.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.201 -0.937 . . . . 0.0 109.931 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.524 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -73.97 -25.43 59.93 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.341 -0.849 . . . . 0.0 109.891 179.867 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.51 ' CD1' ' SD ' ' A' ' 46' ' ' MET . 8.8 mm -71.23 -33.93 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.309 -0.869 . . . . 0.0 109.546 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.698 HD13 ' HB3' ' A' ' 20' ' ' LEU . 1.1 mt -69.19 -42.42 75.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.478 -0.764 . . . . 0.0 109.843 179.636 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -46.0 -25.21 0.52 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.868 . . . . 0.0 109.741 179.621 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -72.05 -27.4 62.67 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.385 -0.822 . . . . 0.0 110.016 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 48' ' ' LEU . 74.6 tt0 -74.84 -27.5 60.3 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.32 -0.862 . . . . 0.0 110.308 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.74 -23.69 45.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.185 -0.947 . . . . 0.0 110.168 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -76.18 -29.05 57.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.236 -0.915 . . . . 0.0 110.23 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -78.13 -23.05 47.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.232 -0.917 . . . . 0.0 110.216 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.433 ' HA ' ' OE1' ' A' ' 55' ' ' GLN . 5.2 tp60 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.214 179.985 . . . . . . . . 1 1 . 1 stop_ save_