data_2kvl_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 2kvl _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.216 0.531 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' OE1' ' CA ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -60.71 -47.07 87.94 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.14 -0.975 . . . . 0.0 110.026 179.801 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 ttm-85 -69.02 -43.16 75.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.366 -0.834 . . . . 0.0 109.964 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -43.28 95.97 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.238 -0.914 . . . . 0.0 109.938 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -44.22 97.61 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.221 -0.924 . . . . 0.0 109.308 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.526 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 2.0 ttt85 -54.17 -43.65 70.82 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.421 -0.799 . . . . 0.0 109.958 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.476 ' HA ' ' HG3' ' A' ' 25' ' ' LYS . 40.0 mm -65.4 -35.65 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.287 -0.883 . . . . 0.0 110.077 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -62.85 -42.49 99.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.277 -0.889 . . . . 0.0 110.156 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.456 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 1.4 t90 -68.21 -35.5 78.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 109.764 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 21' ' ' ARG . 1.4 mmtm -59.41 -53.63 56.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.363 -0.836 . . . . 0.0 110.117 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' TRP . 2.5 mmtp -65.3 -58.18 6.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.268 -0.895 . . . . 0.0 110.05 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.465 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 6.2 t-105 -42.33 -39.35 2.11 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.327 -0.858 . . . . 0.0 110.244 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.456 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -69.66 -43.63 72.16 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.247 -0.908 . . . . 0.0 110.057 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.82 -61.65 2.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.229 -0.92 . . . . 0.0 109.785 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.505 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 63.5 t -59.06 -27.77 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.892 . . . . 0.0 109.693 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.567 ' CE1' ' CG2' ' A' ' 35' ' ' VAL . 7.7 t80 -67.52 -52.28 40.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.374 -0.829 . . . . 0.0 109.827 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -56.31 -43.3 78.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.238 -0.914 . . . . 0.0 110.02 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -43.12 76.58 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.236 -0.915 . . . . 0.0 110.154 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 30' ' ' VAL . 53.8 t -62.5 -46.6 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.223 -0.923 . . . . 0.0 110.101 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.567 ' CG2' ' CE1' ' A' ' 31' ' ' PHE . 16.4 t -58.8 -43.71 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 109.919 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -56.48 -47.66 78.77 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.229 -0.92 . . . . 0.0 109.803 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.561 ' CE1' HD13 ' A' ' 41' ' ' ILE . 18.6 t80 -54.88 -46.62 74.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.257 -0.902 . . . . 0.0 109.775 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.3 t -55.67 -46.54 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.256 -0.902 . . . . 0.0 109.912 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -54.06 -43.92 70.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.27 -0.894 . . . . 0.0 109.661 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -59.13 -39.69 83.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.52 -0.738 . . . . 0.0 109.785 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.561 HD13 ' CE1' ' A' ' 37' ' ' TYR . 18.6 mm -63.56 -56.39 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 0.0 109.674 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.523 HG21 HD12 ' A' ' 42' ' ' ILE . 7.2 mt -46.2 -67.42 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.325 -0.859 . . . . 0.0 109.408 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -44.16 -37.54 3.2 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.423 -0.798 . . . . 0.0 109.796 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mt -68.53 -29.85 68.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.347 -0.846 . . . . 0.0 110.021 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' ILE . 1.2 ttt -83.88 -33.57 24.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.861 . . . . 0.0 110.207 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.304 -0.873 . . . . 0.0 110.462 -179.796 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.267 0.556 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.5 tp -55.22 -28.74 55.31 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.21 -0.931 . . . . 0.0 110.188 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.458 ' O ' ' HB2' ' A' ' 57' ' ' PHE . 22.9 t-20 -78.18 -25.71 47.31 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.28 -0.887 . . . . 0.0 109.595 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 58' ' ' TYR . 8.1 t -75.3 -35.21 61.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.331 -0.855 . . . . 0.0 109.73 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.38 -40.87 42.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.332 -0.855 . . . . 0.0 109.972 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.44 88.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.284 -0.885 . . . . 0.0 110.097 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 53' ' ' ASN . 6.4 m-85 -84.03 -20.62 32.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.237 -0.914 . . . . 0.0 110.177 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.491 ' CB ' ' O ' ' A' ' 54' ' ' SER . 49.2 t80 . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.19 -0.944 . . . . 0.0 110.291 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.199 0.523 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CA ' ' OE1' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -60.64 -46.51 90.03 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.168 -0.958 . . . . 0.0 110.059 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.08 -42.81 68.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.336 -0.853 . . . . 0.0 110.099 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -38.87 89.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.242 -0.911 . . . . 0.0 110.059 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.2 mmt -65.14 -48.68 72.73 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.187 -0.946 . . . . 0.0 109.497 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.3 ttm-85 -55.83 -33.93 64.93 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.39 -0.818 . . . . 0.0 110.036 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.1 mm -72.83 -36.53 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 0.0 110.226 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -68.09 -29.16 68.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.0 110.187 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.575 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -77.82 -47.43 18.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.239 -0.913 . . . . 0.0 110.125 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -58.97 -40.48 84.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.279 -0.888 . . . . 0.0 110.141 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' TRP . 1.2 tttt -73.67 -53.01 11.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 0.0 110.095 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' LYS . 45.0 t-105 -42.11 -51.64 4.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.277 -0.89 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.456 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -68.06 -43.11 79.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.237 -0.914 . . . . 0.0 110.181 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -55.18 -60.48 3.32 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.234 -0.916 . . . . 0.0 109.922 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.52 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 92.8 t -59.58 -27.52 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.314 -0.866 . . . . 0.0 109.732 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.486 ' CE1' ' CG2' ' A' ' 35' ' ' VAL . 4.4 t80 -67.67 -52.33 39.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.366 -0.834 . . . . 0.0 109.955 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -57.46 -42.37 82.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.171 -0.956 . . . . 0.0 110.14 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 m -69.63 -42.68 74.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.294 -0.879 . . . . 0.0 110.205 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 30' ' ' VAL . 49.5 t -59.91 -48.87 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.22 -0.925 . . . . 0.0 110.176 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.486 ' CG2' ' CE1' ' A' ' 31' ' ' PHE . 11.1 t -59.15 -46.6 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.205 -0.934 . . . . 0.0 109.978 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.94 -43.44 81.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.223 -0.923 . . . . 0.0 109.814 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.565 ' CE1' HD11 ' A' ' 41' ' ' ILE . 18.8 t80 -56.88 -45.51 82.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.305 -0.872 . . . . 0.0 109.807 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.94 -46.73 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.875 . . . . 0.0 109.941 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -54.95 -42.21 72.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.216 -0.927 . . . . 0.0 109.764 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -60.21 -40.71 91.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.411 -0.806 . . . . 0.0 109.892 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 37' ' ' TYR . 18.5 mm -60.67 -53.21 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.884 . . . . 0.0 109.749 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.4 HD13 HG23 ' A' ' 42' ' ' ILE . 6.3 mt -50.1 -65.96 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.303 -0.873 . . . . 0.0 109.555 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -46.75 -29.47 1.93 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.54 -0.725 . . . . 0.0 110.149 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 44' ' ' LEU . 1.5 mt -78.09 -30.27 49.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.184 -0.947 . . . . 0.0 110.231 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -54.03 39.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.247 -0.908 . . . . 0.0 110.195 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.206 -0.934 . . . . 0.0 110.142 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.28 0.562 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.44 -27.4 47.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.208 -0.932 . . . . 0.0 110.194 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -78.7 -25.36 44.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.185 -0.947 . . . . 0.0 109.689 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' A' ' 58' ' ' TYR . 12.4 t -76.65 -35.66 57.86 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.281 -0.887 . . . . 0.0 109.69 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.25 -39.01 49.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.835 . . . . 0.0 109.993 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.53 -42.61 82.45 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.238 -0.914 . . . . 0.0 110.052 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -76.79 -25.58 53.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.337 -0.852 . . . . 0.0 110.113 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' A' ' 54' ' ' SER . 36.2 t80 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.201 -0.937 . . . . 0.0 110.188 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 20' ' ' MET . 3.1 m . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.202 0.525 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -41.72 98.79 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.174 -0.954 . . . . 0.0 109.828 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -43.26 62.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.278 -0.889 . . . . 0.0 109.873 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -43.17 99.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 109.943 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -62.73 -44.03 97.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.913 . . . . 0.0 109.437 179.5 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -56.2 -39.13 71.95 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.345 -0.847 . . . . 0.0 110.004 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.7 mm -66.32 -55.42 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 110.164 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.451 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 3.2 m-20 -57.84 -27.2 62.98 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 0.0 110.157 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -40.71 63.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.265 -0.897 . . . . 0.0 110.132 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 1.8 ttpm? -64.97 -40.98 95.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.252 -0.905 . . . . 0.0 110.089 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' TRP . 22.5 tptt -69.65 -62.75 1.26 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.27 -0.894 . . . . 0.0 110.083 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.451 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -42.38 -54.51 3.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.322 -0.861 . . . . 0.0 110.184 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.425 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -60.01 -35.47 75.12 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 110.053 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 1.4 tm0? -55.92 -61.54 2.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.21 -0.931 . . . . 0.0 109.831 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -58.32 -27.74 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.316 -0.865 . . . . 0.0 109.739 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.631 ' CE1' ' CG2' ' A' ' 35' ' ' VAL . 18.0 t80 -68.7 -51.22 43.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -0.826 . . . . 0.0 109.938 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.15 -41.19 78.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 110.106 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -65.3 -60.71 2.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.229 -0.919 . . . . 0.0 110.187 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.1 t -53.35 -53.54 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.248 -0.908 . . . . 0.0 110.186 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.631 ' CG2' ' CE1' ' A' ' 31' ' ' PHE . 38.9 t -55.5 -38.71 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.892 . . . . 0.0 110.039 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 33' ' ' THR . 13.6 m-20 -59.33 -49.0 79.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.219 -0.925 . . . . 0.0 109.821 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.558 ' CE1' HD12 ' A' ' 41' ' ' ILE . 16.9 t80 -55.16 -44.86 75.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.244 -0.91 . . . . 0.0 109.711 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.1 t -56.77 -46.59 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.308 -0.87 . . . . 0.0 109.897 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.53 -42.56 78.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -0.913 . . . . 0.0 109.697 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.469 ' O ' HD22 ' A' ' 44' ' ' LEU . 4.6 tt0 -57.62 -41.12 80.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.446 -0.784 . . . . 0.0 109.613 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.558 HD12 ' CE1' ' A' ' 37' ' ' TYR . 18.2 mm -60.41 -47.57 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 0.0 109.678 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.5 mm -52.16 -50.07 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.289 -0.882 . . . . 0.0 109.705 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -53.35 -50.0 65.95 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.265 -0.897 . . . . 0.0 109.701 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.469 HD22 ' O ' ' A' ' 40' ' ' GLN . 3.0 mm? -53.91 -44.31 70.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.367 -0.833 . . . . 0.0 110.197 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.93 -53.84 29.38 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.874 . . . . 0.0 110.199 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.228 -0.92 . . . . 0.0 110.217 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 53' ' ' ASN . 78.9 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.245 0.545 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' SER . 6.2 mt -43.31 -26.63 0.19 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 0.0 110.069 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 2.0 m120 -64.93 -60.02 3.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.33 -0.856 . . . . 0.0 109.845 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 t -55.2 -32.82 62.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.358 -0.839 . . . . 0.0 109.86 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.46 -42.79 82.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.259 -0.9 . . . . 0.0 110.041 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.78 96.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.233 -0.917 . . . . 0.0 110.085 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 57' ' ' PHE . 11.0 t80 -69.84 -25.29 63.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.273 -0.892 . . . . 0.0 110.13 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.3 t80 . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.27 -0.893 . . . . 0.0 110.193 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.193 0.521 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -46.8 82.92 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.171 -0.955 . . . . 0.0 110.055 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' O ' HG12 ' A' ' 22' ' ' ILE . 22.8 ttt-85 -67.65 -35.82 79.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.307 -0.871 . . . . 0.0 109.957 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.9 ttt -63.49 -51.38 65.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.864 . . . . 0.0 109.763 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.6 mmt -57.64 -40.28 78.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.412 -0.805 . . . . 0.0 109.483 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -57.57 -42.48 83.17 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.487 -0.758 . . . . 0.0 110.087 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 18' ' ' ARG . 36.0 mm -69.65 -44.82 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.313 -0.867 . . . . 0.0 110.143 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 8.1 m-20 -58.95 -29.19 66.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.25 -0.906 . . . . 0.0 110.179 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -76.73 -46.06 26.87 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.246 -0.909 . . . . 0.0 110.162 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -61.02 -40.7 94.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.233 -0.917 . . . . 0.0 110.12 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -68.78 -59.97 2.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.286 -0.884 . . . . 0.0 110.136 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.456 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -42.25 -44.5 3.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.256 -0.903 . . . . 0.0 110.253 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -38.56 83.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.257 -0.902 . . . . 0.0 110.089 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 26' ' ' LYS . 2.1 mt-30 -57.55 -63.08 1.36 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.195 -0.94 . . . . 0.0 109.856 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.456 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 21.2 t -57.44 -29.42 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 0.0 109.718 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.575 ' CE1' HG21 ' A' ' 35' ' ' VAL . 5.9 t80 -66.78 -52.06 48.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.403 -0.81 . . . . 0.0 109.908 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.401 ' O ' ' OD2' ' A' ' 36' ' ' ASP . 0.4 OUTLIER -55.56 -43.72 76.16 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.205 -0.935 . . . . 0.0 110.04 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -67.77 -41.11 83.8 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.346 -0.846 . . . . 0.0 110.108 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 30' ' ' VAL . 56.8 t -64.37 -46.58 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.939 . . . . 0.0 110.157 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.575 HG21 ' CE1' ' A' ' 31' ' ' PHE . 12.0 t -58.7 -41.94 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.193 -0.942 . . . . 0.0 109.953 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 32' ' ' TYR . 2.0 m-20 -58.7 -49.08 78.91 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.244 -0.91 . . . . 0.0 109.893 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.577 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 37.9 t80 -54.74 -41.42 70.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.275 -0.89 . . . . 0.0 109.84 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 34' ' ' VAL . 88.2 t -64.82 -49.6 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.899 . . . . 0.0 109.918 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -28.25 41.1 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.231 -0.918 . . . . 0.0 109.696 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.481 ' NE2' ' C ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -72.15 -58.48 3.39 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.387 -0.82 . . . . 0.0 109.918 179.816 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.577 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 61.9 mt -61.91 -24.74 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.174 -0.954 . . . . 0.0 109.784 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -68.98 -51.35 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.453 -0.779 . . . . 0.0 109.904 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -62.22 -35.26 78.35 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.287 -0.883 . . . . 0.0 109.971 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.8 -35.38 72.51 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.31 -0.869 . . . . 0.0 110.141 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -54.21 48.01 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 0.0 110.227 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 110.154 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.418 0.628 . . . . 0.0 109.912 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.463 HD11 ' N ' ' A' ' 53' ' ' ASN . 3.7 pp -80.58 -25.92 38.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.325 -0.859 . . . . 0.0 110.444 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.564 ' ND2' ' N ' ' A' ' 54' ' ' SER . 0.4 OUTLIER -80.04 -36.11 36.23 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.976 -1.078 . . . . 0.0 109.126 179.584 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.564 ' N ' ' ND2' ' A' ' 53' ' ' ASN . 20.3 t -74.79 -37.01 62.51 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.361 -0.837 . . . . 0.0 109.433 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.58 -34.71 67.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.325 -0.86 . . . . 0.0 109.871 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.68 -46.75 68.25 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.214 -0.929 . . . . 0.0 110.028 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -69.13 -27.51 65.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.238 -0.914 . . . . 0.0 110.002 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.3 t80 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.29 -0.881 . . . . 0.0 110.167 179.926 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.209 0.528 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.16 -47.6 85.44 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.194 -0.941 . . . . 0.0 110.008 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.462 ' O ' HG12 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -69.19 -42.89 75.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.33 -0.856 . . . . 0.0 110.062 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -41.4 90.28 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.26 -0.9 . . . . 0.0 109.99 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.6 mtt -63.53 -47.02 83.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.0 109.411 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -54.55 -35.97 63.82 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.456 -0.777 . . . . 0.0 110.056 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 18' ' ' ARG . 17.1 mm -68.37 -50.78 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 0.0 110.189 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -55.68 -29.51 59.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.903 . . . . 0.0 110.209 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -43.84 52.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.201 -0.937 . . . . 0.0 110.148 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 1.1 tttt -60.28 -40.19 89.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 0.0 110.142 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.73 -58.73 3.79 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.271 -0.893 . . . . 0.0 110.191 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' LYS . 41.5 t-105 -42.41 -46.91 4.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.318 -0.864 . . . . 0.0 110.349 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -38.88 87.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.212 -0.93 . . . . 0.0 110.245 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 3.5 mt-30 -54.85 -60.24 3.63 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.148 -0.97 . . . . 0.0 109.93 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.2 t -60.66 -29.17 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.238 -0.914 . . . . 0.0 109.82 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.579 ' CE1' ' CG2' ' A' ' 35' ' ' VAL . 13.6 t80 -66.41 -51.26 58.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.368 -0.832 . . . . 0.0 110.022 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.455 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 10.6 t80 -59.12 -41.38 88.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.226 -0.921 . . . . 0.0 110.242 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.48 -49.0 63.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.244 -0.91 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.32 -50.46 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.926 . . . . 0.0 110.209 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.579 ' CG2' ' CE1' ' A' ' 31' ' ' PHE . 22.2 t -59.19 -36.05 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.226 -0.921 . . . . 0.0 110.066 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 32' ' ' TYR . 1.7 m-20 -62.77 -46.39 88.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.272 -0.892 . . . . 0.0 109.913 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 41' ' ' ILE . 15.6 t80 -59.46 -41.77 90.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.314 -0.867 . . . . 0.0 109.877 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.43 -43.41 94.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.307 -0.871 . . . . 0.0 110.081 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -60.75 -35.63 76.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 0.0 109.9 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 22.1 mm100 -65.79 -48.04 73.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.379 -0.825 . . . . 0.0 110.002 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.599 ' CD1' ' CZ ' ' A' ' 37' ' ' TYR . 61.9 mt -62.47 -54.2 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.24 -0.912 . . . . 0.0 109.956 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.498 HG23 HD11 ' A' ' 42' ' ' ILE . 5.3 mt -47.79 -67.75 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.279 -0.888 . . . . 0.0 109.584 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -45.66 -33.39 2.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.404 -0.81 . . . . 0.0 110.131 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 40' ' ' GLN . 1.1 mt -72.92 -28.97 62.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.244 -0.91 . . . . 0.0 110.123 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -67.65 -53.93 23.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.306 -0.871 . . . . 0.0 110.197 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.287 -0.883 . . . . 0.0 110.238 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.6 p . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.471 0.653 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.484 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 3.1 tm? -75.08 -34.39 61.77 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.417 -0.802 . . . . 0.0 110.019 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.543 ' OD1' ' N ' ' A' ' 54' ' ' SER . 37.1 p30 -75.72 -18.09 59.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.116 -0.99 . . . . 0.0 109.435 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.543 ' N ' ' OD1' ' A' ' 53' ' ' ASN . 32.1 t -82.39 -44.65 15.86 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.437 -0.789 . . . . 0.0 109.192 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.83 -34.3 76.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.408 -0.808 . . . . 0.0 109.661 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.41 -55.91 6.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.29 -0.881 . . . . 0.0 109.933 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.466 ' HB2' ' O ' ' A' ' 53' ' ' ASN . 2.2 m-85 -56.41 -28.01 58.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 0.0 109.853 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 77.4 t80 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.321 -0.862 . . . . 0.0 110.155 179.833 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 17' ' ' GLU . 7.1 t . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.179 0.514 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.523 ' N ' ' CG2' ' A' ' 16' ' ' THR . 0.2 OUTLIER -48.08 -49.47 31.53 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.216 -0.928 . . . . 0.0 110.274 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 6.5 tpt180 -65.05 -41.61 95.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.289 -0.882 . . . . 0.0 110.196 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.466 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -60.8 -47.63 85.47 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.176 -0.953 . . . . 0.0 109.813 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.401 ' HE2' ' HA ' ' A' ' 20' ' ' MET . 28.4 mmt -60.67 -33.65 73.15 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.238 -0.914 . . . . 0.0 109.466 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.45 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 8.5 ttm180 -61.92 -45.81 92.07 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.438 -0.789 . . . . 0.0 110.398 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.468 ' CG2' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -69.18 -40.74 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.136 -0.978 . . . . 0.0 110.183 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.468 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 16.1 m-80 -68.56 -28.17 66.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.275 -0.89 . . . . 0.0 110.184 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.465 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 9.2 t90 -74.16 -42.87 59.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.307 -0.87 . . . . 0.0 110.063 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -65.32 -41.09 94.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.331 -0.855 . . . . 0.0 110.123 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' TRP . 69.8 tttt -68.09 -64.04 0.94 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.272 -0.893 . . . . 0.0 110.163 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.466 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -42.28 -51.64 4.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.296 -0.877 . . . . 0.0 110.321 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.465 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -61.01 -35.06 75.85 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.186 -0.946 . . . . 0.0 110.103 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -66.07 0.59 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.2 -0.937 . . . . 0.0 109.912 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.496 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 45.1 t -60.97 -22.12 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.295 -0.878 . . . . 0.0 109.816 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.524 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 20.9 t80 -72.78 -51.24 19.82 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.405 -0.809 . . . . 0.0 109.988 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -40.86 92.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.173 -0.955 . . . . 0.0 110.155 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -49.83 30.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.282 -0.887 . . . . 0.0 110.209 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 30' ' ' VAL . 52.9 t -59.52 -52.55 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.235 -0.915 . . . . 0.0 110.22 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 31' ' ' PHE . 32.0 t -58.23 -38.15 66.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.199 -0.938 . . . . 0.0 110.046 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -60.49 -44.8 95.57 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.246 -0.909 . . . . 0.0 109.994 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.636 ' CZ ' ' CD1' ' A' ' 41' ' ' ILE . 15.1 t80 -61.39 -45.42 94.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.219 -0.926 . . . . 0.0 109.904 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.43 -38.84 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.26 -0.9 . . . . 0.0 109.966 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -60.13 -38.53 83.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.283 -0.886 . . . . 0.0 109.816 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 1.4 tt0 -65.76 -52.02 54.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.488 -0.758 . . . . 0.0 109.966 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.636 ' CD1' ' CZ ' ' A' ' 37' ' ' TYR . 55.0 mt -61.52 -52.27 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.285 -0.884 . . . . 0.0 109.968 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.529 HG23 HD13 ' A' ' 42' ' ' ILE . 7.5 mt -47.78 -69.53 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -45.53 -32.51 2.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.402 -0.811 . . . . 0.0 110.097 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 40' ' ' GLN . 1.2 mt -72.73 -29.0 62.98 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.243 -0.911 . . . . 0.0 110.164 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.529 ' CE ' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -72.94 -53.98 9.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.326 -0.859 . . . . 0.0 110.17 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.201 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.238 0.542 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.529 ' CD2' ' CE ' ' A' ' 45' ' ' MET . 29.1 tp -54.45 -32.71 58.19 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.247 -0.908 . . . . 0.0 110.151 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -74.16 -25.64 59.85 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.21 -0.931 . . . . 0.0 109.575 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 58' ' ' TYR . 3.1 t -73.83 -39.32 64.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.335 -0.853 . . . . 0.0 109.762 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.99 -40.21 68.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.324 -0.86 . . . . 0.0 109.974 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.95 -35.47 80.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.264 -0.898 . . . . 0.0 110.094 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -78.98 -24.4 43.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 110.135 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.464 ' HB2' ' O ' ' A' ' 54' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.273 -0.892 . . . . 0.0 110.182 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.157 0.503 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.06 -46.99 84.88 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.189 -0.944 . . . . 0.0 109.988 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.487 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -66.84 -38.89 87.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 0.0 109.862 179.797 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.2 ttp -63.03 -51.39 66.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.288 -0.882 . . . . 0.0 109.595 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.21 -42.42 86.19 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.429 -0.795 . . . . 0.0 109.232 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -54.52 -40.98 69.14 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.459 -0.776 . . . . 0.0 109.866 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.482 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 5.7 mt -65.46 -58.57 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.899 . . . . 0.0 109.894 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 22' ' ' ILE . 5.6 m-20 -43.77 -34.57 1.59 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.183 -0.948 . . . . 0.0 109.774 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CE3' ' HA ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -72.53 -40.48 66.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.386 -0.822 . . . . 0.0 109.98 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.521 ' HG3' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -64.99 -21.75 66.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.926 . . . . 0.0 109.862 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 26.3 tttm -83.19 -64.99 1.06 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.371 -0.831 . . . . 0.0 109.806 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.424 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -45.3 -38.88 6.04 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.274 -0.891 . . . . 0.0 109.91 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.429 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -73.58 -47.11 42.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.346 -0.846 . . . . 0.0 110.146 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -49.17 -54.07 18.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.193 -0.942 . . . . 0.0 110.001 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -70.78 -27.81 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.272 -0.893 . . . . 0.0 110.013 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.572 ' CE1' HG21 ' A' ' 35' ' ' VAL . 8.4 t80 -65.62 -44.68 85.75 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.325 -0.859 . . . . 0.0 110.172 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.457 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 4.2 t80 -75.89 -32.64 59.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.234 -0.916 . . . . 0.0 110.606 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 29' ' ' GLN . 2.7 m -75.65 -45.79 35.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.161 -0.962 . . . . 0.0 110.504 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.1 t -67.74 -48.63 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.103 -0.998 . . . . 0.0 110.023 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 31' ' ' PHE . 24.2 t -64.79 -32.64 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.262 -0.899 . . . . 0.0 110.01 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 32' ' ' TYR . 5.0 m-20 -65.52 -42.39 92.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.162 -0.961 . . . . 0.0 109.537 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.469 ' O ' HG12 ' A' ' 41' ' ' ILE . 8.1 t80 -61.99 -48.05 82.06 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.272 -0.893 . . . . 0.0 109.567 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.3 t -59.01 -39.83 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.286 -0.884 . . . . 0.0 109.857 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -60.07 -39.7 86.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.236 -0.915 . . . . 0.0 109.803 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.79 -39.83 94.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.455 -0.778 . . . . 0.0 109.882 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.471 ' O ' ' HG3' ' A' ' 45' ' ' MET . 20.8 mm -58.67 -57.58 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.203 -0.935 . . . . 0.0 109.232 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.484 ' O ' ' HB2' ' A' ' 45' ' ' MET . 4.9 mt -46.64 -59.86 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.474 -0.766 . . . . 0.0 109.176 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 42' ' ' ILE . 4.6 tt0 -40.99 -40.19 1.36 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.642 -0.661 . . . . 0.0 109.699 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 mt -75.48 -35.22 60.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.321 -0.862 . . . . 0.0 109.796 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.484 ' HB2' ' O ' ' A' ' 42' ' ' ILE . 25.0 mtp -47.72 -46.82 30.05 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.423 -0.798 . . . . 0.0 110.192 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.334 -0.854 . . . . 0.0 110.212 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.217 0.532 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -51.03 -34.07 27.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.277 -0.889 . . . . 0.0 110.199 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 57' ' ' PHE . 50.8 t-20 -71.66 -25.35 62.09 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.27 -0.894 . . . . 0.0 109.663 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -43.31 55.41 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.316 -0.865 . . . . 0.0 109.699 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.25 81.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.317 -0.864 . . . . 0.0 109.97 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.27 -22.56 32.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.276 -0.89 . . . . 0.0 110.114 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 53' ' ' ASN . 47.4 t80 -96.81 -3.9 41.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.136 -0.978 . . . . 0.0 110.472 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.7 t80 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.08 -1.012 . . . . 0.0 110.645 -179.701 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 20' ' ' MET . 3.0 m . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.096 0.474 . . . . 0.0 110.102 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -43.03 86.7 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.138 -0.976 . . . . 0.0 109.654 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.469 ' O ' HD11 ' A' ' 22' ' ' ILE . 14.5 tpt180 -69.86 -42.58 73.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.325 -0.859 . . . . 0.0 109.734 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.0 ttt -61.92 -49.93 74.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.302 -0.874 . . . . 0.0 109.585 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.466 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -57.28 -39.6 76.01 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.42 -0.8 . . . . 0.0 109.272 179.506 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 17.6 tpp180 -56.65 -46.6 80.97 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.461 -0.774 . . . . 0.0 110.072 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.569 ' N ' ' CD1' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -68.87 -50.84 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.273 -0.892 . . . . 0.0 109.79 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 9.4 m-80 -56.31 -26.75 53.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 0.0 110.038 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.469 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -75.82 -45.92 33.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.899 . . . . 0.0 110.035 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -57.89 -40.19 79.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 0.0 110.154 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 12.4 mmtt -72.24 -64.51 0.93 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.224 -0.922 . . . . 0.0 110.207 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.555 ' HA ' ' CE3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -42.3 -48.74 5.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.24 -0.913 . . . . 0.0 110.396 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.469 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -63.36 -40.63 97.8 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.207 -0.933 . . . . 0.0 110.186 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -53.41 -59.24 4.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.11 -0.994 . . . . 0.0 109.814 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 17.5 t -59.87 -28.07 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.323 -0.861 . . . . 0.0 109.79 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.613 ' CE1' ' CG2' ' A' ' 35' ' ' VAL . 11.1 t80 -68.44 -51.43 43.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.408 -0.808 . . . . 0.0 109.973 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -57.16 -42.9 81.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.251 -0.905 . . . . 0.0 110.096 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.4 m -69.92 -44.1 70.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.258 -0.901 . . . . 0.0 110.225 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 30' ' ' VAL . 54.4 t -61.99 -51.55 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 110.133 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.613 ' CG2' ' CE1' ' A' ' 31' ' ' PHE . 18.8 t -56.97 -40.04 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.209 -0.932 . . . . 0.0 109.981 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -59.08 -48.12 82.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.27 -0.893 . . . . 0.0 109.797 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.466 ' O ' HG12 ' A' ' 41' ' ' ILE . 14.3 t80 -55.41 -44.96 76.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.907 . . . . 0.0 109.719 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -55.74 -45.67 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.293 -0.879 . . . . 0.0 109.935 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -41.79 79.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.241 -0.912 . . . . 0.0 109.743 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.456 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 90.3 mm-40 -60.2 -38.37 83.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.456 -0.777 . . . . 0.0 109.878 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 37' ' ' TYR . 21.3 mm -62.38 -55.5 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.287 -0.883 . . . . 0.0 109.723 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.421 HD13 HG23 ' A' ' 42' ' ' ILE . 6.0 mt -48.91 -65.82 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.299 -0.876 . . . . 0.0 109.504 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -46.5 -32.33 3.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.526 -0.734 . . . . 0.0 110.097 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 40' ' ' GLN . 1.3 mt -74.55 -29.18 61.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.202 -0.936 . . . . 0.0 110.151 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' ILE . 2.5 tpt -68.77 -48.23 64.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.247 -0.908 . . . . 0.0 110.078 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.883 . . . . 0.0 110.331 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.503 ' OG ' ' N ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.248 0.546 . . . . 0.0 110.258 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.514 ' N ' ' CD1' ' A' ' 52' ' ' LEU . 5.8 mp -45.48 -28.63 0.94 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.213 -0.93 . . . . 0.0 109.929 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -58.6 -66.26 0.52 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.297 -0.877 . . . . 0.0 109.84 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -38.47 53.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.335 -0.853 . . . . 0.0 109.845 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.16 95.59 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.282 -0.886 . . . . 0.0 109.969 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.78 -21.75 51.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.284 -0.885 . . . . 0.0 110.085 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.52 -7.2 44.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.22 -0.925 . . . . 0.0 110.38 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.6 t80 . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.174 -0.954 . . . . 0.0 110.584 -179.78 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.176 0.512 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.462 ' OE2' ' HE2' ' A' ' 20' ' ' MET . 0.3 OUTLIER -60.29 -49.05 79.14 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 121.103 -0.998 . . . . 0.0 109.975 179.757 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 ttm-85 -69.82 -39.59 76.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.365 -0.834 . . . . 0.0 110.001 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 tpp -60.31 -40.32 90.11 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.288 -0.883 . . . . 0.0 110.029 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.462 ' HE2' ' OE2' ' A' ' 17' ' ' GLU . 5.0 mtm -66.16 -50.18 64.83 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.19 -0.944 . . . . 0.0 109.461 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.404 ' HD3' ' HA ' ' A' ' 21' ' ' ARG . 24.2 tpp180 -58.17 -29.35 65.54 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.418 -0.801 . . . . 0.0 110.068 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.413 HG23 HD11 ' A' ' 22' ' ' ILE . 12.1 mm -79.12 -37.76 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 110.199 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -64.12 -33.99 77.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.177 -0.952 . . . . 0.0 110.143 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.553 ' CE3' ' HA ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -79.16 -49.92 11.81 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.194 -0.941 . . . . 0.0 110.035 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 18.0 tttt -62.74 -32.06 73.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.333 -0.854 . . . . 0.0 110.129 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' TRP . 8.6 tttp -77.62 -61.27 2.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.862 . . . . 0.0 110.109 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.454 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 8.0 t-105 -42.24 -49.06 5.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.413 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -70.09 -44.82 68.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.161 -0.962 . . . . 0.0 110.264 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -54.14 -59.73 4.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.201 -0.937 . . . . 0.0 109.976 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.527 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 93.5 t -62.24 -27.02 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.225 -0.922 . . . . 0.0 109.798 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.461 ' O ' HG21 ' A' ' 35' ' ' VAL . 5.3 t80 -67.78 -52.18 40.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.39 -0.819 . . . . 0.0 109.981 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -40.47 90.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.237 -0.914 . . . . 0.0 110.223 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -43.14 70.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.279 -0.888 . . . . 0.0 110.221 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 30' ' ' VAL . 50.2 t -60.09 -52.27 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.253 -0.905 . . . . 0.0 110.184 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 31' ' ' PHE . 9.7 t -60.65 -43.84 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 110.046 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 50.3 m-20 -62.16 -39.5 92.86 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.192 -0.943 . . . . 0.0 109.805 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.635 ' CZ ' ' CD1' ' A' ' 41' ' ' ILE . 15.9 t80 -60.51 -40.51 91.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.33 -0.856 . . . . 0.0 109.857 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.93 -48.68 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.253 -0.904 . . . . 0.0 109.886 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -57.11 -26.42 60.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.15 -0.968 . . . . 0.0 109.559 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.457 ' O ' HD22 ' A' ' 44' ' ' LEU . 26.0 mm100 -73.12 -57.48 3.99 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.383 -0.823 . . . . 0.0 109.939 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.635 ' CD1' ' CZ ' ' A' ' 37' ' ' TYR . 60.6 mt -61.98 -30.88 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.196 -0.94 . . . . 0.0 109.526 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.34 -55.31 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.475 -0.766 . . . . 0.0 109.647 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -54.53 -42.95 71.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.293 -0.879 . . . . 0.0 109.629 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 3.1 mm? -62.98 -46.08 89.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.345 -0.847 . . . . 0.0 110.289 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -58.8 6.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.287 -0.883 . . . . 0.0 110.238 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 m . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 110.183 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.303 0.573 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.5 mt -60.19 -27.58 67.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.214 -0.929 . . . . 0.0 110.066 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -78.43 -25.53 46.02 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.242 -0.911 . . . . 0.0 109.601 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 58' ' ' TYR . 46.2 t -76.2 -36.5 58.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.311 -0.868 . . . . 0.0 109.656 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.06 -39.33 55.72 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.29 -0.881 . . . . 0.0 109.921 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.83 -40.77 88.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.0 110.026 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -77.81 -24.7 48.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.863 . . . . 0.0 110.119 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.455 ' HB2' ' O ' ' A' ' 54' ' ' SER . 28.4 t80 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 110.192 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.55 ' CG2' ' N ' ' A' ' 17' ' ' GLU . 2.9 t . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.275 0.559 . . . . 0.0 110.12 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.55 ' N ' ' CG2' ' A' ' 16' ' ' THR . 0.8 OUTLIER -52.82 -44.97 67.05 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.243 -0.91 . . . . 0.0 110.267 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -69.56 -40.96 76.48 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.299 -0.876 . . . . 0.0 110.035 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -44.15 97.4 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.231 -0.918 . . . . 0.0 109.859 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.452 ' HG3' ' O ' ' A' ' 16' ' ' THR . 5.3 mtt -61.32 -44.25 97.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.24 -0.912 . . . . 0.0 109.427 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -55.16 -41.57 72.01 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.376 -0.827 . . . . 0.0 110.04 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.9 mm -64.54 -52.53 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.24 -0.912 . . . . 0.0 110.11 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.452 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 14.1 m-80 -58.9 -20.1 48.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.925 . . . . 0.0 110.051 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -78.08 -47.63 17.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.297 -0.877 . . . . 0.0 110.138 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -42.02 99.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.249 -0.907 . . . . 0.0 110.069 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' TRP . 3.6 tptm -68.32 -61.21 1.94 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.269 -0.895 . . . . 0.0 110.002 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.458 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 8.5 t90 -42.63 -40.84 2.87 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.299 -0.876 . . . . 0.0 110.141 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.457 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -65.47 -46.41 79.92 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.323 -0.861 . . . . 0.0 110.092 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.25 -61.76 2.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 109.747 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.445 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 15.9 t -59.2 -27.73 37.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.335 -0.853 . . . . 0.0 109.736 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CE1' HG23 ' A' ' 35' ' ' VAL . 7.8 t80 -67.01 -52.77 38.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.384 -0.822 . . . . 0.0 109.872 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -56.24 -43.46 78.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.164 -0.96 . . . . 0.0 109.992 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 66.5 m -67.77 -44.55 77.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.29 -0.881 . . . . 0.0 110.119 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' A' ' 30' ' ' VAL . 54.5 t -61.77 -46.28 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.241 -0.912 . . . . 0.0 110.072 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 31' ' ' PHE . 20.8 t -56.92 -44.6 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.205 -0.934 . . . . 0.0 109.857 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.27 -51.3 68.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.0 109.789 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.468 ' O ' HG12 ' A' ' 41' ' ' ILE . 10.7 t80 -55.35 -44.86 76.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.912 . . . . 0.0 109.578 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' O ' HG12 ' A' ' 42' ' ' ILE . 66.3 t -56.66 -45.08 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.338 -0.851 . . . . 0.0 109.863 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -55.95 -42.62 76.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.23 -0.919 . . . . 0.0 109.668 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -60.1 -39.41 86.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.471 -0.768 . . . . 0.0 109.726 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 37' ' ' TYR . 20.9 mm -62.07 -40.14 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.328 -0.857 . . . . 0.0 109.87 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 38' ' ' VAL . 22.8 mm -61.51 -47.14 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.362 -0.836 . . . . 0.0 109.958 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -59.81 -36.13 76.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.296 -0.878 . . . . 0.0 110.166 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 mt -74.0 -43.36 58.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.222 -0.924 . . . . 0.0 110.23 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -49.01 -43.89 40.76 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.225 -0.922 . . . . 0.0 110.15 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' MET . 13.1 t . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.288 -0.882 . . . . 0.0 110.19 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.272 0.558 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.1 mt -54.88 -28.43 50.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.929 . . . . 0.0 110.21 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -78.69 -25.97 44.87 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.175 -0.953 . . . . 0.0 109.64 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 58' ' ' TYR . 20.1 t -75.75 -32.58 60.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.325 -0.859 . . . . 0.0 109.676 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.96 -42.31 27.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.331 -0.856 . . . . 0.0 109.955 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.27 -36.8 83.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 0.0 110.07 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -83.68 -23.75 31.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 0.0 110.151 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.489 ' CB ' ' O ' ' A' ' 54' ' ' SER . 68.7 t80 . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.889 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.51 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 14.1 t . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.252 0.548 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.51 ' N ' ' OG ' ' A' ' 1' ' ' SER . 0.3 OUTLIER 172.28 144.29 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.255 -0.903 . . . . 0.0 110.228 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.4 t -88.98 -1.9 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.242 -0.911 . . . . 0.0 110.22 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.428 ' O ' ' HB3' ' A' ' 5' ' ' ASP . 22.6 tp -101.14 59.13 0.89 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.204 -0.935 . . . . 0.0 110.197 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.513 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 2.4 p30 173.15 -58.79 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.247 -0.908 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.459 ' O ' HG13 ' A' ' 6' ' ' ILE . 3.2 pt -47.76 92.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.199 -0.938 . . . . 0.0 110.187 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 5' ' ' ASP . 86.7 m 57.1 61.35 2.6 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.249 -0.907 . . . . 0.0 110.229 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.481 ' C ' ' CD ' ' A' ' 10' ' ' PRO . . . -60.24 -141.65 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.187 -0.946 . . . . 0.0 110.199 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.575 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 4.6 p-10 -119.3 46.85 0.85 Allowed Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 0.0 110.516 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 9' ' ' ASP . 45.7 Cg_endo -71.47 -54.17 0.16 Allowed 'Trans proline' 0 C--N 1.306 -1.705 0 O-C-N 123.847 1.446 . . . . 0.0 110.422 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.07 16.86 0.66 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.235 -0.916 . . . . 0.0 110.172 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.459 ' O ' HG21 ' A' ' 12' ' ' THR . 4.5 m -79.74 1.04 28.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.0 110.219 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 12' ' ' THR . . . 43.29 60.91 10.48 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.238 -0.914 . . . . 0.0 110.273 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.46 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 46.0 Cg_endo -71.09 -53.79 0.18 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 O-C-N 123.973 1.512 . . . . 0.0 110.169 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -48.58 -48.16 39.11 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.242 -0.911 . . . . 0.0 110.14 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -64.42 -28.29 69.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.241 -0.912 . . . . 0.0 110.027 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -60.71 -47.07 87.94 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.14 -0.975 . . . . 0.0 110.026 179.801 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 ttm-85 -69.02 -43.16 75.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.366 -0.834 . . . . 0.0 109.964 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -43.28 95.97 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.238 -0.914 . . . . 0.0 109.938 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -44.22 97.61 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.221 -0.924 . . . . 0.0 109.308 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.526 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 2.0 ttt85 -54.17 -43.65 70.82 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.421 -0.799 . . . . 0.0 109.958 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.476 ' HA ' ' HG3' ' A' ' 25' ' ' LYS . 40.0 mm -65.4 -35.65 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.287 -0.883 . . . . 0.0 110.077 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -62.85 -42.49 99.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.277 -0.889 . . . . 0.0 110.156 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.456 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 1.4 t90 -68.21 -35.5 78.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 109.764 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 21' ' ' ARG . 1.4 mmtm -59.41 -53.63 56.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.363 -0.836 . . . . 0.0 110.117 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' TRP . 2.5 mmtp -65.3 -58.18 6.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.268 -0.895 . . . . 0.0 110.05 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.465 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 6.2 t-105 -42.33 -39.35 2.11 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.327 -0.858 . . . . 0.0 110.244 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.456 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -69.66 -43.63 72.16 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.247 -0.908 . . . . 0.0 110.057 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.82 -61.65 2.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.229 -0.92 . . . . 0.0 109.785 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.505 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 63.5 t -59.06 -27.77 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.892 . . . . 0.0 109.693 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.567 ' CE1' ' CG2' ' A' ' 35' ' ' VAL . 7.7 t80 -67.52 -52.28 40.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.374 -0.829 . . . . 0.0 109.827 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -56.31 -43.3 78.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.238 -0.914 . . . . 0.0 110.02 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -43.12 76.58 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.236 -0.915 . . . . 0.0 110.154 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 30' ' ' VAL . 53.8 t -62.5 -46.6 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.223 -0.923 . . . . 0.0 110.101 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.567 ' CG2' ' CE1' ' A' ' 31' ' ' PHE . 16.4 t -58.8 -43.71 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 109.919 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -56.48 -47.66 78.77 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.229 -0.92 . . . . 0.0 109.803 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.561 ' CE1' HD13 ' A' ' 41' ' ' ILE . 18.6 t80 -54.88 -46.62 74.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.257 -0.902 . . . . 0.0 109.775 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.3 t -55.67 -46.54 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.256 -0.902 . . . . 0.0 109.912 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -54.06 -43.92 70.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.27 -0.894 . . . . 0.0 109.661 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -59.13 -39.69 83.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.52 -0.738 . . . . 0.0 109.785 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.561 HD13 ' CE1' ' A' ' 37' ' ' TYR . 18.6 mm -63.56 -56.39 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 0.0 109.674 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.523 HG21 HD12 ' A' ' 42' ' ' ILE . 7.2 mt -46.2 -67.42 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.325 -0.859 . . . . 0.0 109.408 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.47 ' O ' ' HB3' ' A' ' 47' ' ' LYS . 5.7 tt0 -44.16 -37.54 3.2 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.423 -0.798 . . . . 0.0 109.796 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.467 ' HA ' ' HD2' ' A' ' 47' ' ' LYS . 1.4 mt -68.53 -29.85 68.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.347 -0.846 . . . . 0.0 110.021 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' ILE . 1.2 ttt -83.88 -33.57 24.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.861 . . . . 0.0 110.207 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.4 t -87.94 -10.03 51.8 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.304 -0.873 . . . . 0.0 110.462 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 43' ' ' GLN . 4.2 ptmt -59.67 -13.93 11.82 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.144 -0.972 . . . . 0.0 110.271 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.525 ' O ' ' CD ' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -86.95 37.78 0.78 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.294 -0.879 . . . . 0.0 110.22 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 p -85.93 -48.7 8.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.253 -0.904 . . . . 0.0 110.204 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.492 ' HG2' ' CB ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -140.01 40.49 1.96 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.247 -0.908 . . . . 0.0 110.228 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 79.6 p -61.13 -56.38 21.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.276 -0.89 . . . . 0.0 110.192 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.5 tp -55.22 -28.74 55.31 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.21 -0.931 . . . . 0.0 110.188 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.492 ' CB ' ' HG2' ' A' ' 50' ' ' ARG . 22.9 t-20 -78.18 -25.71 47.31 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.28 -0.887 . . . . 0.0 109.595 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 58' ' ' TYR . 8.1 t -75.3 -35.21 61.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.331 -0.855 . . . . 0.0 109.73 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -77.38 -40.87 42.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.332 -0.855 . . . . 0.0 109.972 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' A' ' 60' ' ' ARG . . . -65.95 -38.44 88.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.284 -0.885 . . . . 0.0 110.097 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 53' ' ' ASN . 6.4 m-85 -84.03 -20.62 32.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.237 -0.914 . . . . 0.0 110.177 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.491 ' CB ' ' O ' ' A' ' 54' ' ' SER . 49.2 t80 -94.4 -7.74 40.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.19 -0.944 . . . . 0.0 110.291 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.576 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 33.6 t80 -113.73 10.64 17.93 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.272 -0.892 . . . . 0.0 110.195 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -69.69 -5.52 25.51 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.097 -1.002 . . . . 0.0 110.232 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.45 ' OXT' ' O ' ' A' ' 60' ' ' ARG . 2.4 t . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 117.999 -1.0 . . . . 0.0 109.843 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.197 0.522 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.481 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 4.2 t70 -141.75 -159.66 0.99 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.235 -0.916 . . . . 0.0 109.803 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.481 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 3.4 t 65.86 7.44 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.303 -0.873 . . . . 0.0 110.4 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.517 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 1.6 pp -94.34 59.05 2.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.184 -0.948 . . . . 0.0 110.237 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 1.0 OUTLIER -163.39 -58.79 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.253 -0.904 . . . . 0.0 110.349 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' ALA . 17.4 pt -69.29 -177.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.102 -0.999 . . . . 0.0 109.846 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 6' ' ' ILE . 76.9 m 41.52 26.35 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.454 -0.779 . . . . 0.0 110.426 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.464 ' O ' ' OD1' ' A' ' 9' ' ' ASP . . . -146.92 -153.39 0.49 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.112 -0.992 . . . . 0.0 110.218 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.472 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 3.7 p-10 37.37 53.07 2.85 Favored Pre-proline 0 N--CA 1.493 1.718 0 O-C-N 121.584 -0.698 . . . . 0.0 110.799 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 9' ' ' ASP . 46.0 Cg_endo -73.53 -27.2 13.26 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 O-C-N 124.003 1.528 . . . . 0.0 110.381 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.78 25.77 0.33 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.245 -0.91 . . . . 0.0 110.194 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.456 ' O ' HG21 ' A' ' 12' ' ' THR . 4.7 m -87.46 1.13 54.34 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 0.0 110.228 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 12' ' ' THR . . . 42.32 59.64 10.09 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.27 -0.894 . . . . 0.0 110.344 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.437 ' HG3' ' HB2' ' A' ' 9' ' ' ASP . 46.7 Cg_endo -71.47 -45.17 0.86 Allowed 'Trans proline' 0 C--N 1.305 -1.726 0 O-C-N 123.932 1.491 . . . . 0.0 110.196 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.82 -58.47 4.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.267 -0.896 . . . . 0.0 110.23 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -65.08 -27.82 69.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.255 -0.903 . . . . 0.0 110.076 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CA ' ' OE1' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -60.64 -46.51 90.03 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.168 -0.958 . . . . 0.0 110.059 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.08 -42.81 68.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.336 -0.853 . . . . 0.0 110.099 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -38.87 89.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.242 -0.911 . . . . 0.0 110.059 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.2 mmt -65.14 -48.68 72.73 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.187 -0.946 . . . . 0.0 109.497 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.3 ttm-85 -55.83 -33.93 64.93 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.39 -0.818 . . . . 0.0 110.036 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.1 mm -72.83 -36.53 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 0.0 110.226 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -68.09 -29.16 68.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.0 110.187 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.575 ' CE3' ' HA ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -77.82 -47.43 18.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.239 -0.913 . . . . 0.0 110.125 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -58.97 -40.48 84.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.279 -0.888 . . . . 0.0 110.141 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' TRP . 1.2 tttt -73.67 -53.01 11.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 0.0 110.095 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' LYS . 45.0 t-105 -42.11 -51.64 4.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.277 -0.89 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.456 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -68.06 -43.11 79.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.237 -0.914 . . . . 0.0 110.181 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -55.18 -60.48 3.32 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.234 -0.916 . . . . 0.0 109.922 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.52 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 92.8 t -59.58 -27.52 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.314 -0.866 . . . . 0.0 109.732 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.486 ' CE1' ' CG2' ' A' ' 35' ' ' VAL . 4.4 t80 -67.67 -52.33 39.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.366 -0.834 . . . . 0.0 109.955 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -57.46 -42.37 82.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.171 -0.956 . . . . 0.0 110.14 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 m -69.63 -42.68 74.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.294 -0.879 . . . . 0.0 110.205 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 30' ' ' VAL . 49.5 t -59.91 -48.87 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.22 -0.925 . . . . 0.0 110.176 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.486 ' CG2' ' CE1' ' A' ' 31' ' ' PHE . 11.1 t -59.15 -46.6 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.205 -0.934 . . . . 0.0 109.978 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.94 -43.44 81.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.223 -0.923 . . . . 0.0 109.814 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.565 ' CE1' HD11 ' A' ' 41' ' ' ILE . 18.8 t80 -56.88 -45.51 82.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.305 -0.872 . . . . 0.0 109.807 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.94 -46.73 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.875 . . . . 0.0 109.941 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -54.95 -42.21 72.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.216 -0.927 . . . . 0.0 109.764 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -60.21 -40.71 91.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.411 -0.806 . . . . 0.0 109.892 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 37' ' ' TYR . 18.5 mm -60.67 -53.21 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.884 . . . . 0.0 109.749 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.4 HD13 HG23 ' A' ' 42' ' ' ILE . 6.3 mt -50.1 -65.96 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.303 -0.873 . . . . 0.0 109.555 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -46.75 -29.47 1.93 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.54 -0.725 . . . . 0.0 110.149 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 44' ' ' LEU . 1.5 mt -78.09 -30.27 49.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.184 -0.947 . . . . 0.0 110.231 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -54.03 39.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.247 -0.908 . . . . 0.0 110.195 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.74 -18.04 4.19 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.206 -0.934 . . . . 0.0 110.142 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.34 7.67 27.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.244 -0.91 . . . . 0.0 110.141 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 48' ' ' ARG . 4.4 ttt-85 -138.3 6.86 2.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.212 -0.93 . . . . 0.0 110.027 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 60.8 p -83.15 12.52 5.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.222 -0.924 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.518 ' HG2' ' CB ' ' A' ' 53' ' ' ASN . 0.1 OUTLIER 66.53 63.39 0.52 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.211 -0.931 . . . . 0.0 110.206 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -61.24 -63.28 1.34 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.238 -0.914 . . . . 0.0 110.232 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.44 -27.4 47.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.208 -0.932 . . . . 0.0 110.194 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.518 ' CB ' ' HG2' ' A' ' 50' ' ' ARG . 15.6 t30 -78.7 -25.36 44.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.185 -0.947 . . . . 0.0 109.689 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' A' ' 58' ' ' TYR . 12.4 t -76.65 -35.66 57.86 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.281 -0.887 . . . . 0.0 109.69 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -77.25 -39.01 49.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.835 . . . . 0.0 109.993 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.53 -42.61 82.45 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.238 -0.914 . . . . 0.0 110.052 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.464 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 28.7 t80 -76.79 -25.58 53.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.337 -0.852 . . . . 0.0 110.113 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' A' ' 54' ' ' SER . 36.2 t80 -87.72 -12.65 44.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.201 -0.937 . . . . 0.0 110.188 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.587 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 38.1 t80 -115.07 10.96 16.29 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.291 -0.881 . . . . 0.0 110.258 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.508 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -87.34 140.22 29.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 0.0 110.176 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 60' ' ' ARG . 2.4 t . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.076 -1.015 . . . . 0.0 109.856 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.292 0.568 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.521 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 10.9 m-20 -150.54 98.61 2.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.233 -0.917 . . . . 0.0 110.203 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' A' ' 2' ' ' ASP . 8.3 t -160.93 -58.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.298 -0.876 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.465 ' O ' HG12 ' A' ' 6' ' ' ILE . 35.9 mt -44.46 -25.3 0.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.116 -0.99 . . . . 0.0 110.307 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.52 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 0.7 OUTLIER -48.81 -58.38 4.89 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.238 -0.914 . . . . 0.0 110.371 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.52 ' CG1' ' O ' ' A' ' 5' ' ' ASP . 15.8 pt 38.89 29.77 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.434 -0.791 . . . . 0.0 110.62 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' ASP . 6.9 m -116.72 -23.69 8.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.251 -0.906 . . . . 0.0 110.233 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 9' ' ' ASP . . . -76.8 -174.66 3.13 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.273 -0.892 . . . . 0.0 110.212 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 8' ' ' ALA . 5.2 p-10 37.03 70.46 1.13 Allowed Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.6 -0.688 . . . . 0.0 110.843 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.468 ' O ' ' HB ' ' A' ' 11' ' ' THR . 45.2 Cg_endo -72.72 -15.76 26.86 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 O-C-N 123.914 1.481 . . . . 0.0 110.436 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.468 ' HB ' ' O ' ' A' ' 10' ' ' PRO . 87.8 m 58.13 46.88 15.39 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.335 -0.853 . . . . 0.0 110.179 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.467 HG21 ' O ' ' A' ' 10' ' ' PRO . 72.6 p -130.7 -1.31 4.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.229 -0.919 . . . . 0.0 110.045 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.52 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . . . -65.21 -57.14 16.15 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.247 -0.908 . . . . 0.0 110.241 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.52 ' CD ' ' CB ' ' A' ' 13' ' ' ALA . 47.4 Cg_endo -72.95 -3.51 13.74 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 O-C-N 123.949 1.499 . . . . 0.0 110.172 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.75 -53.07 7.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.918 . . . . 0.0 110.112 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 20' ' ' MET . 3.1 m -63.1 -27.75 69.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.229 -0.919 . . . . 0.0 110.029 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -41.72 98.79 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.174 -0.954 . . . . 0.0 109.828 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -43.26 62.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.278 -0.889 . . . . 0.0 109.873 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -43.17 99.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 109.943 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -62.73 -44.03 97.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.913 . . . . 0.0 109.437 179.5 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -56.2 -39.13 71.95 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.345 -0.847 . . . . 0.0 110.004 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.7 mm -66.32 -55.42 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 110.164 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.451 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 3.2 m-20 -57.84 -27.2 62.98 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 0.0 110.157 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -40.71 63.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.265 -0.897 . . . . 0.0 110.132 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 1.8 ttpm? -64.97 -40.98 95.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.252 -0.905 . . . . 0.0 110.089 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' TRP . 22.5 tptt -69.65 -62.75 1.26 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.27 -0.894 . . . . 0.0 110.083 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.451 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -42.38 -54.51 3.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.322 -0.861 . . . . 0.0 110.184 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.425 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -60.01 -35.47 75.12 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 110.053 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 1.4 tm0? -55.92 -61.54 2.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.21 -0.931 . . . . 0.0 109.831 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -58.32 -27.74 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.316 -0.865 . . . . 0.0 109.739 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.631 ' CE1' ' CG2' ' A' ' 35' ' ' VAL . 18.0 t80 -68.7 -51.22 43.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -0.826 . . . . 0.0 109.938 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.15 -41.19 78.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 110.106 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -65.3 -60.71 2.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.229 -0.919 . . . . 0.0 110.187 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.1 t -53.35 -53.54 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.248 -0.908 . . . . 0.0 110.186 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.631 ' CG2' ' CE1' ' A' ' 31' ' ' PHE . 38.9 t -55.5 -38.71 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.892 . . . . 0.0 110.039 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 33' ' ' THR . 13.6 m-20 -59.33 -49.0 79.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.219 -0.925 . . . . 0.0 109.821 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.558 ' CE1' HD12 ' A' ' 41' ' ' ILE . 16.9 t80 -55.16 -44.86 75.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.244 -0.91 . . . . 0.0 109.711 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.1 t -56.77 -46.59 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.308 -0.87 . . . . 0.0 109.897 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.53 -42.56 78.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -0.913 . . . . 0.0 109.697 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.469 ' O ' HD22 ' A' ' 44' ' ' LEU . 4.6 tt0 -57.62 -41.12 80.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.446 -0.784 . . . . 0.0 109.613 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.558 HD12 ' CE1' ' A' ' 37' ' ' TYR . 18.2 mm -60.41 -47.57 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 0.0 109.678 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.5 mm -52.16 -50.07 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.289 -0.882 . . . . 0.0 109.705 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.465 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 7.4 tt0 -53.35 -50.0 65.95 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.265 -0.897 . . . . 0.0 109.701 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.524 ' HA ' ' CD ' ' A' ' 47' ' ' LYS . 3.0 mm? -53.91 -44.31 70.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.367 -0.833 . . . . 0.0 110.197 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.93 -53.84 29.38 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.874 . . . . 0.0 110.199 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.8 m -53.23 -21.87 5.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.228 -0.92 . . . . 0.0 110.217 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.524 ' CD ' ' HA ' ' A' ' 44' ' ' LEU . 2.1 mtpt -88.21 167.44 13.59 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.246 -0.909 . . . . 0.0 110.035 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.58 84.31 0.1 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.248 -0.907 . . . . 0.0 109.938 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 82.9 p -88.04 35.0 0.73 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.297 -0.877 . . . . 0.0 110.104 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 13.2 ttt180 -123.19 4.03 9.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.232 -0.917 . . . . 0.0 110.113 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 53' ' ' ASN . 78.9 p -56.28 -82.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.193 -0.942 . . . . 0.0 110.223 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' SER . 6.2 mt -43.31 -26.63 0.19 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 0.0 110.069 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 2.0 m120 -64.93 -60.02 3.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.33 -0.856 . . . . 0.0 109.845 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 t -55.2 -32.82 62.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.358 -0.839 . . . . 0.0 109.86 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.46 -42.79 82.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.259 -0.9 . . . . 0.0 110.041 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.78 96.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.233 -0.917 . . . . 0.0 110.085 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.435 ' C ' ' CD1' ' A' ' 57' ' ' PHE . 11.0 t80 -69.84 -25.29 63.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.273 -0.892 . . . . 0.0 110.13 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -88.68 -11.01 46.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.27 -0.893 . . . . 0.0 110.193 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 27.5 t80 -125.14 20.13 8.23 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.214 -0.928 . . . . 0.0 110.156 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.417 ' O ' HG22 ' A' ' 61' ' ' VAL . 14.3 ttp180 -158.0 164.9 36.31 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.25 -0.906 . . . . 0.0 110.171 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 60' ' ' ARG . 2.4 t . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.825 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.27 0.557 . . . . 0.0 110.181 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.482 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 8.7 t0 -142.1 -159.71 1.0 Allowed 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.223 -0.923 . . . . 0.0 109.831 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.482 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 3.4 t 65.84 7.53 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.371 -0.831 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.561 ' CD1' ' N ' ' A' ' 5' ' ' ASP . 4.7 pp -57.24 -32.45 66.56 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.215 -0.928 . . . . 0.0 110.179 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.561 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -61.95 -32.94 73.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.898 . . . . 0.0 110.179 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.535 ' CG1' ' O ' ' A' ' 5' ' ' ASP . 20.7 pt 38.43 29.01 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.538 -0.726 . . . . 0.0 110.582 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 5' ' ' ASP . 99.0 m 52.95 19.73 1.44 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.292 -0.88 . . . . 0.0 110.144 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.453 ' O ' ' HD3' ' A' ' 10' ' ' PRO . . . 47.8 -175.59 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.303 -0.873 . . . . 0.0 110.231 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 9' ' ' ASP . 11.0 p-10 -107.37 75.16 0.45 Allowed Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.239 -0.913 . . . . 0.0 110.356 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 8' ' ' ALA . 45.4 Cg_endo -72.2 -2.48 11.7 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 O-C-N 123.886 1.466 . . . . 0.0 110.397 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.489 ' C ' ' CG2' ' A' ' 12' ' ' THR . 10.8 m -103.25 3.76 35.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.265 -0.897 . . . . 0.0 110.184 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.489 ' CG2' ' C ' ' A' ' 11' ' ' THR . 22.6 p -153.05 26.59 0.54 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.239 -0.913 . . . . 0.0 110.115 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . . . -59.82 -58.12 21.77 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.267 -0.895 . . . . 0.0 110.235 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 13' ' ' ALA . 47.3 Cg_endo -73.23 -15.56 25.41 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 O-C-N 124.023 1.538 . . . . 0.0 110.17 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -68.3 -49.57 59.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.28 -0.888 . . . . 0.0 110.207 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -62.04 -28.11 69.36 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.902 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -46.8 82.92 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.171 -0.955 . . . . 0.0 110.055 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' O ' HG12 ' A' ' 22' ' ' ILE . 22.8 ttt-85 -67.65 -35.82 79.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.307 -0.871 . . . . 0.0 109.957 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.9 ttt -63.49 -51.38 65.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.864 . . . . 0.0 109.763 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.6 mmt -57.64 -40.28 78.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.412 -0.805 . . . . 0.0 109.483 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -57.57 -42.48 83.17 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.487 -0.758 . . . . 0.0 110.087 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 18' ' ' ARG . 36.0 mm -69.65 -44.82 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.313 -0.867 . . . . 0.0 110.143 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 8.1 m-20 -58.95 -29.19 66.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.25 -0.906 . . . . 0.0 110.179 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -76.73 -46.06 26.87 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.246 -0.909 . . . . 0.0 110.162 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -61.02 -40.7 94.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.233 -0.917 . . . . 0.0 110.12 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -68.78 -59.97 2.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.286 -0.884 . . . . 0.0 110.136 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.456 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -42.25 -44.5 3.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.256 -0.903 . . . . 0.0 110.253 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -38.56 83.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.257 -0.902 . . . . 0.0 110.089 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 26' ' ' LYS . 2.1 mt-30 -57.55 -63.08 1.36 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.195 -0.94 . . . . 0.0 109.856 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.456 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 21.2 t -57.44 -29.42 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 0.0 109.718 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.575 ' CE1' HG21 ' A' ' 35' ' ' VAL . 5.9 t80 -66.78 -52.06 48.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.403 -0.81 . . . . 0.0 109.908 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.401 ' O ' ' OD2' ' A' ' 36' ' ' ASP . 0.4 OUTLIER -55.56 -43.72 76.16 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.205 -0.935 . . . . 0.0 110.04 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -67.77 -41.11 83.8 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.346 -0.846 . . . . 0.0 110.108 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 30' ' ' VAL . 56.8 t -64.37 -46.58 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.939 . . . . 0.0 110.157 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.575 HG21 ' CE1' ' A' ' 31' ' ' PHE . 12.0 t -58.7 -41.94 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.193 -0.942 . . . . 0.0 109.953 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 32' ' ' TYR . 2.0 m-20 -58.7 -49.08 78.91 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.244 -0.91 . . . . 0.0 109.893 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.577 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 37.9 t80 -54.74 -41.42 70.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.275 -0.89 . . . . 0.0 109.84 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 34' ' ' VAL . 88.2 t -64.82 -49.6 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.899 . . . . 0.0 109.918 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -28.25 41.1 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.231 -0.918 . . . . 0.0 109.696 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.481 ' NE2' ' C ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -72.15 -58.48 3.39 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.387 -0.82 . . . . 0.0 109.918 179.816 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.577 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 61.9 mt -61.91 -24.74 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.174 -0.954 . . . . 0.0 109.784 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -68.98 -51.35 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.453 -0.779 . . . . 0.0 109.904 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -62.22 -35.26 78.35 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.287 -0.883 . . . . 0.0 109.971 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.452 ' HA ' ' HD3' ' A' ' 47' ' ' LYS . 4.7 mt -70.8 -35.38 72.51 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.31 -0.869 . . . . 0.0 110.141 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -54.21 48.01 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 0.0 110.227 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.448 ' O ' ' HD3' ' A' ' 48' ' ' ARG . 3.4 m -45.56 -38.39 6.4 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 110.154 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 48' ' ' ARG . 2.2 mtpt -83.77 45.78 1.11 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.276 -0.89 . . . . 0.0 110.056 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -57.65 -154.54 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 0.0 110.364 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.459 ' O ' ' HD3' ' A' ' 50' ' ' ARG . 1.2 m -86.7 38.31 0.79 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.224 -0.923 . . . . 0.0 110.182 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.533 ' CA ' ' OD1' ' A' ' 53' ' ' ASN . 9.0 mmt85 -141.87 -37.28 0.41 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.236 -0.915 . . . . 0.0 110.115 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 50' ' ' ARG . 3.7 p -43.09 -26.87 0.17 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.081 -1.012 . . . . 0.0 109.912 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.463 HD11 ' N ' ' A' ' 53' ' ' ASN . 3.7 pp -80.58 -25.92 38.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.325 -0.859 . . . . 0.0 110.444 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.564 ' ND2' ' N ' ' A' ' 54' ' ' SER . 0.4 OUTLIER -80.04 -36.11 36.23 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.976 -1.078 . . . . 0.0 109.126 179.584 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.564 ' N ' ' ND2' ' A' ' 53' ' ' ASN . 20.3 t -74.79 -37.01 62.51 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.361 -0.837 . . . . 0.0 109.433 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -72.58 -34.71 67.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.325 -0.86 . . . . 0.0 109.871 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.68 -46.75 68.25 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.214 -0.929 . . . . 0.0 110.028 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -69.13 -27.51 65.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.238 -0.914 . . . . 0.0 110.002 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -88.46 -12.38 43.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.29 -0.881 . . . . 0.0 110.167 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 10.5 t80 -124.16 19.44 9.09 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.287 -0.883 . . . . 0.0 110.215 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.464 ' O ' ' HB ' ' A' ' 61' ' ' VAL . 11.2 ttm180 -64.17 93.66 0.1 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.186 -0.946 . . . . 0.0 110.181 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 60' ' ' ARG . 1.6 p . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.157 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.215 0.531 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -106.49 32.59 4.39 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.288 -0.882 . . . . 0.0 110.23 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.2 OUTLIER -147.05 -77.42 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.359 -0.838 . . . . 0.0 110.351 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 3' ' ' VAL . 1.1 pt? 35.38 31.48 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.617 -0.677 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 3' ' ' VAL . 5.6 t70 -164.8 -89.28 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.245 -0.909 . . . . 0.0 110.196 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.495 ' N ' ' OD2' ' A' ' 5' ' ' ASP . 16.9 mm 42.34 36.71 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.299 -0.876 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 9' ' ' ASP . 96.9 m -139.29 7.14 2.38 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.255 -0.903 . . . . 0.0 110.205 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.462 ' O ' ' HD3' ' A' ' 10' ' ' PRO . . . -67.96 72.02 0.17 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.287 -0.883 . . . . 0.0 110.223 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.46 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 6.6 p-10 -107.34 75.11 0.44 Allowed Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.252 -0.905 . . . . 0.0 110.383 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.464 ' O ' ' HB ' ' A' ' 11' ' ' THR . 45.7 Cg_endo -72.24 -36.46 5.54 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 O-C-N 123.882 1.464 . . . . 0.0 110.4 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 10' ' ' PRO . 10.8 t -177.66 33.63 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.266 -0.896 . . . . 0.0 110.185 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.495 ' O ' ' CG2' ' A' ' 12' ' ' THR . 4.4 m -121.04 5.93 10.35 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.303 -0.873 . . . . 0.0 110.173 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' THR . . . 42.68 60.04 10.33 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 110.267 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.464 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 46.3 Cg_endo -71.43 -44.07 1.22 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 O-C-N 123.996 1.524 . . . . 0.0 110.182 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -48.17 -46.7 35.01 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.235 -0.916 . . . . 0.0 110.201 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -65.94 -28.07 68.64 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.216 -0.927 . . . . 0.0 110.043 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 0.3 OUTLIER -61.16 -47.6 85.44 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.194 -0.941 . . . . 0.0 110.008 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.462 ' O ' HG12 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -69.19 -42.89 75.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.33 -0.856 . . . . 0.0 110.062 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -41.4 90.28 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.26 -0.9 . . . . 0.0 109.99 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.6 mtt -63.53 -47.02 83.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.0 109.411 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -54.55 -35.97 63.82 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.456 -0.777 . . . . 0.0 110.056 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 18' ' ' ARG . 17.1 mm -68.37 -50.78 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 0.0 110.189 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -55.68 -29.51 59.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.903 . . . . 0.0 110.209 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -43.84 52.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.201 -0.937 . . . . 0.0 110.148 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 1.1 tttt -60.28 -40.19 89.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 0.0 110.142 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.73 -58.73 3.79 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.271 -0.893 . . . . 0.0 110.191 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' LYS . 41.5 t-105 -42.41 -46.91 4.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.318 -0.864 . . . . 0.0 110.349 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -38.88 87.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.212 -0.93 . . . . 0.0 110.245 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 3.5 mt-30 -54.85 -60.24 3.63 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.148 -0.97 . . . . 0.0 109.93 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.2 t -60.66 -29.17 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.238 -0.914 . . . . 0.0 109.82 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.579 ' CE1' ' CG2' ' A' ' 35' ' ' VAL . 13.6 t80 -66.41 -51.26 58.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.368 -0.832 . . . . 0.0 110.022 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.455 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 10.6 t80 -59.12 -41.38 88.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.226 -0.921 . . . . 0.0 110.242 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.48 -49.0 63.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.244 -0.91 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.32 -50.46 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.926 . . . . 0.0 110.209 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.579 ' CG2' ' CE1' ' A' ' 31' ' ' PHE . 22.2 t -59.19 -36.05 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.226 -0.921 . . . . 0.0 110.066 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 32' ' ' TYR . 1.7 m-20 -62.77 -46.39 88.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.272 -0.892 . . . . 0.0 109.913 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 41' ' ' ILE . 15.6 t80 -59.46 -41.77 90.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.314 -0.867 . . . . 0.0 109.877 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.43 -43.41 94.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.307 -0.871 . . . . 0.0 110.081 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -60.75 -35.63 76.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 0.0 109.9 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 22.1 mm100 -65.79 -48.04 73.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.379 -0.825 . . . . 0.0 110.002 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.599 ' CD1' ' CZ ' ' A' ' 37' ' ' TYR . 61.9 mt -62.47 -54.2 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.24 -0.912 . . . . 0.0 109.956 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.498 HG23 HD11 ' A' ' 42' ' ' ILE . 5.3 mt -47.79 -67.75 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.279 -0.888 . . . . 0.0 109.584 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 58.9 tt0 -45.66 -33.39 2.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.404 -0.81 . . . . 0.0 110.131 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 40' ' ' GLN . 1.1 mt -72.92 -28.97 62.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.244 -0.91 . . . . 0.0 110.123 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -67.65 -53.93 23.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.306 -0.871 . . . . 0.0 110.197 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 48' ' ' ARG . 17.7 m -58.82 -37.88 77.38 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.287 -0.883 . . . . 0.0 110.238 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -54.79 85.62 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.22 -0.925 . . . . 0.0 110.232 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER 43.19 -141.17 0.16 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.209 -0.932 . . . . 0.0 109.952 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 1.8 t 66.98 42.53 2.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.172 -0.955 . . . . 0.0 110.22 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.534 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 95.7 mtt180 -149.98 -37.49 0.15 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 0.0 110.226 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 50' ' ' ARG . 23.6 p -41.72 -29.69 0.2 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.231 -0.918 . . . . 0.0 109.788 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.484 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 3.1 tm? -75.08 -34.39 61.77 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.417 -0.802 . . . . 0.0 110.019 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.543 ' OD1' ' N ' ' A' ' 54' ' ' SER . 37.1 p30 -75.72 -18.09 59.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.116 -0.99 . . . . 0.0 109.435 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.543 ' N ' ' OD1' ' A' ' 53' ' ' ASN . 32.1 t -82.39 -44.65 15.86 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.437 -0.789 . . . . 0.0 109.192 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.449 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -67.83 -34.3 76.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.408 -0.808 . . . . 0.0 109.661 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.41 -55.91 6.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.29 -0.881 . . . . 0.0 109.933 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.466 ' HB2' ' O ' ' A' ' 53' ' ' ASN . 2.2 m-85 -56.41 -28.01 58.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 0.0 109.853 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -89.64 -17.06 29.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.321 -0.862 . . . . 0.0 110.155 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 59' ' ' TYR . 80.2 t80 -128.47 54.82 1.73 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.216 -0.928 . . . . 0.0 110.126 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.4 mtm-85 -55.56 150.8 11.55 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.25 -0.906 . . . . 0.0 110.238 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 118.025 -0.988 . . . . 0.0 109.853 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.238 0.542 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.439 ' O ' ' OD2' ' A' ' 5' ' ' ASP . 18.0 m-20 -106.94 32.7 4.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 0.0 110.197 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 5' ' ' ASP . 20.8 t -79.78 -38.09 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.302 -0.874 . . . . 0.0 110.219 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 4' ' ' LEU . 43.2 tp -61.47 76.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.273 -0.892 . . . . 0.0 110.164 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.534 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 0.5 OUTLIER 175.08 -57.92 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.255 -0.903 . . . . 0.0 110.243 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.534 ' CG1' ' O ' ' A' ' 5' ' ' ASP . 19.6 pt 38.57 28.89 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.575 -0.703 . . . . 0.0 110.615 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 5' ' ' ASP . 85.4 m -121.44 -20.45 6.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 110.124 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.95 33.79 0.54 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.215 -0.928 . . . . 0.0 110.188 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -125.08 75.19 67.39 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.324 -0.86 . . . . 0.0 110.174 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.465 ' O ' ' HB ' ' A' ' 11' ' ' THR . 46.4 Cg_endo -73.13 -1.1 10.05 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 O-C-N 124.047 1.551 . . . . 0.0 110.479 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 10' ' ' PRO . 86.5 m 57.15 43.68 23.64 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.242 -0.911 . . . . 0.0 110.2 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.499 HG21 ' N ' ' A' ' 13' ' ' ALA . 4.9 t -177.78 -39.43 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.267 -0.895 . . . . 0.0 110.217 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.532 ' N ' ' CD ' ' A' ' 14' ' ' PRO . . . -132.99 49.18 4.11 Favored Pre-proline 0 C--N 1.305 -1.341 0 O-C-N 121.266 -0.896 . . . . 0.0 110.624 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 13' ' ' ALA . 39.8 Cg_endo -63.29 -24.4 71.93 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 O-C-N 123.893 1.47 . . . . 0.0 110.33 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.98 -54.22 4.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 0.0 110.206 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 17' ' ' GLU . 7.1 t -58.47 -43.53 88.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.265 -0.897 . . . . 0.0 110.186 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.523 ' N ' ' CG2' ' A' ' 16' ' ' THR . 0.2 OUTLIER -48.08 -49.47 31.53 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.216 -0.928 . . . . 0.0 110.274 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 6.5 tpt180 -65.05 -41.61 95.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.289 -0.882 . . . . 0.0 110.196 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.466 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -60.8 -47.63 85.47 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.176 -0.953 . . . . 0.0 109.813 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.401 ' HE2' ' HA ' ' A' ' 20' ' ' MET . 28.4 mmt -60.67 -33.65 73.15 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.238 -0.914 . . . . 0.0 109.466 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.45 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 8.5 ttm180 -61.92 -45.81 92.07 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.438 -0.789 . . . . 0.0 110.398 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.468 ' CG2' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -69.18 -40.74 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.136 -0.978 . . . . 0.0 110.183 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.468 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 16.1 m-80 -68.56 -28.17 66.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.275 -0.89 . . . . 0.0 110.184 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.465 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 9.2 t90 -74.16 -42.87 59.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.307 -0.87 . . . . 0.0 110.063 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -65.32 -41.09 94.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.331 -0.855 . . . . 0.0 110.123 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' TRP . 69.8 tttt -68.09 -64.04 0.94 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.272 -0.893 . . . . 0.0 110.163 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.466 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -42.28 -51.64 4.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.296 -0.877 . . . . 0.0 110.321 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.465 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -61.01 -35.06 75.85 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.186 -0.946 . . . . 0.0 110.103 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -66.07 0.59 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.2 -0.937 . . . . 0.0 109.912 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.496 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 45.1 t -60.97 -22.12 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.295 -0.878 . . . . 0.0 109.816 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.524 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 20.9 t80 -72.78 -51.24 19.82 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.405 -0.809 . . . . 0.0 109.988 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -40.86 92.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.173 -0.955 . . . . 0.0 110.155 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -49.83 30.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.282 -0.887 . . . . 0.0 110.209 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 30' ' ' VAL . 52.9 t -59.52 -52.55 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.235 -0.915 . . . . 0.0 110.22 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 31' ' ' PHE . 32.0 t -58.23 -38.15 66.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.199 -0.938 . . . . 0.0 110.046 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -60.49 -44.8 95.57 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.246 -0.909 . . . . 0.0 109.994 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.636 ' CZ ' ' CD1' ' A' ' 41' ' ' ILE . 15.1 t80 -61.39 -45.42 94.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.219 -0.926 . . . . 0.0 109.904 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.43 -38.84 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.26 -0.9 . . . . 0.0 109.966 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -60.13 -38.53 83.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.283 -0.886 . . . . 0.0 109.816 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 1.4 tt0 -65.76 -52.02 54.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.488 -0.758 . . . . 0.0 109.966 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.636 ' CD1' ' CZ ' ' A' ' 37' ' ' TYR . 55.0 mt -61.52 -52.27 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.285 -0.884 . . . . 0.0 109.968 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.529 HG23 HD13 ' A' ' 42' ' ' ILE . 7.5 mt -47.78 -69.53 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -45.53 -32.51 2.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.402 -0.811 . . . . 0.0 110.097 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 40' ' ' GLN . 1.2 mt -72.73 -29.0 62.98 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.243 -0.911 . . . . 0.0 110.164 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.529 ' CE ' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -72.94 -53.98 9.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.326 -0.859 . . . . 0.0 110.17 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.1 t -62.96 -15.14 54.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.201 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.473 ' O ' ' HD3' ' A' ' 48' ' ' ARG . 7.0 tppt? -74.36 -19.8 60.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.2 -0.938 . . . . 0.0 110.219 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.473 ' HD3' ' O ' ' A' ' 47' ' ' LYS . 7.0 mmt180 -120.39 42.3 3.01 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -0.89 . . . . 0.0 109.988 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.536 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 12.5 t 46.68 56.47 6.51 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.29 -0.881 . . . . 0.0 110.221 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 49' ' ' SER . 2.5 ptp180 37.02 45.34 0.44 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.712 -0.617 . . . . 0.0 110.691 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 t -61.07 -57.15 13.75 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.262 -0.899 . . . . 0.0 110.189 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.529 ' CD2' ' CE ' ' A' ' 45' ' ' MET . 29.1 tp -54.45 -32.71 58.19 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.247 -0.908 . . . . 0.0 110.151 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -74.16 -25.64 59.85 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.21 -0.931 . . . . 0.0 109.575 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 58' ' ' TYR . 3.1 t -73.83 -39.32 64.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.335 -0.853 . . . . 0.0 109.762 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -71.99 -40.21 68.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.324 -0.86 . . . . 0.0 109.974 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.95 -35.47 80.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.264 -0.898 . . . . 0.0 110.094 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -78.98 -24.4 43.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 110.135 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.464 ' HB2' ' O ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -95.16 -7.43 39.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.273 -0.892 . . . . 0.0 110.182 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 75.5 t80 -123.97 19.42 9.24 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.267 -0.896 . . . . 0.0 110.169 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 60' ' ' ARG . 6.7 ttt180 -114.9 1.22 13.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.213 -0.929 . . . . 0.0 110.229 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.018 -0.992 . . . . 0.0 109.844 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.246 0.546 . . . . 0.0 110.176 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.11 114.43 0.49 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.219 -0.926 . . . . 0.0 110.194 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.518 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 48.7 t -73.02 -3.22 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.231 -0.918 . . . . 0.0 110.197 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 39.9 tp -82.56 -61.75 1.8 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.254 -0.904 . . . . 0.0 110.271 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -42.34 -54.39 3.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.268 -0.895 . . . . 0.0 110.326 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.526 ' O ' ' CD1' ' A' ' 6' ' ' ILE . 1.8 pp -43.01 95.6 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.285 -0.884 . . . . 0.0 110.208 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 5' ' ' ASP . 86.2 m 53.33 61.19 3.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.205 -0.934 . . . . 0.0 110.234 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 4' ' ' LEU . . . -95.23 -164.26 1.14 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.294 -0.879 . . . . 0.0 110.256 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.455 ' O ' ' OD1' ' A' ' 9' ' ' ASP . 24.7 t0 -131.35 61.38 58.76 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.278 -0.889 . . . . 0.0 110.202 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.453 ' O ' ' HB ' ' A' ' 11' ' ' THR . 46.5 Cg_endo -73.63 -0.26 9.1 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 O-C-N 124.005 1.529 . . . . 0.0 110.51 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.453 ' HB ' ' O ' ' A' ' 10' ' ' PRO . 12.8 t -178.14 178.11 0.95 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.261 -0.899 . . . . 0.0 110.284 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.5 m -65.97 -11.14 45.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.245 -0.91 . . . . 0.0 110.17 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.9 68.53 2.53 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.247 -0.908 . . . . 0.0 110.371 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.436 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 44.3 Cg_endo -69.53 -46.34 1.36 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 O-C-N 123.983 1.518 . . . . 0.0 110.131 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -48.62 -48.87 39.08 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.232 -0.917 . . . . 0.0 110.097 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 m -62.07 -28.34 69.54 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.268 -0.895 . . . . 0.0 109.947 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 0.4 OUTLIER -63.06 -46.99 84.88 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.189 -0.944 . . . . 0.0 109.988 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.487 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -66.84 -38.89 87.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 0.0 109.862 179.797 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.2 ttp -63.03 -51.39 66.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.288 -0.882 . . . . 0.0 109.595 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.21 -42.42 86.19 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.429 -0.795 . . . . 0.0 109.232 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -54.52 -40.98 69.14 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.459 -0.776 . . . . 0.0 109.866 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.482 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 5.7 mt -65.46 -58.57 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.899 . . . . 0.0 109.894 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 22' ' ' ILE . 5.6 m-20 -43.77 -34.57 1.59 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.183 -0.948 . . . . 0.0 109.774 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CE3' ' HA ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -72.53 -40.48 66.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.386 -0.822 . . . . 0.0 109.98 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.521 ' HG3' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -64.99 -21.75 66.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.926 . . . . 0.0 109.862 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 26.3 tttm -83.19 -64.99 1.06 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.371 -0.831 . . . . 0.0 109.806 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.424 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -45.3 -38.88 6.04 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.274 -0.891 . . . . 0.0 109.91 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.429 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -73.58 -47.11 42.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.346 -0.846 . . . . 0.0 110.146 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -49.17 -54.07 18.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.193 -0.942 . . . . 0.0 110.001 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -70.78 -27.81 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.272 -0.893 . . . . 0.0 110.013 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.572 ' CE1' HG21 ' A' ' 35' ' ' VAL . 8.4 t80 -65.62 -44.68 85.75 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.325 -0.859 . . . . 0.0 110.172 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.457 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 4.2 t80 -75.89 -32.64 59.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.234 -0.916 . . . . 0.0 110.606 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 29' ' ' GLN . 2.7 m -75.65 -45.79 35.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.161 -0.962 . . . . 0.0 110.504 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.1 t -67.74 -48.63 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.103 -0.998 . . . . 0.0 110.023 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 31' ' ' PHE . 24.2 t -64.79 -32.64 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.262 -0.899 . . . . 0.0 110.01 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 32' ' ' TYR . 5.0 m-20 -65.52 -42.39 92.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.162 -0.961 . . . . 0.0 109.537 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.469 ' O ' HG12 ' A' ' 41' ' ' ILE . 8.1 t80 -61.99 -48.05 82.06 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.272 -0.893 . . . . 0.0 109.567 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.3 t -59.01 -39.83 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.286 -0.884 . . . . 0.0 109.857 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -60.07 -39.7 86.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.236 -0.915 . . . . 0.0 109.803 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.79 -39.83 94.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.455 -0.778 . . . . 0.0 109.882 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.471 ' O ' ' HG3' ' A' ' 45' ' ' MET . 20.8 mm -58.67 -57.58 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.203 -0.935 . . . . 0.0 109.232 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.484 ' O ' ' HB2' ' A' ' 45' ' ' MET . 4.9 mt -46.64 -59.86 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.474 -0.766 . . . . 0.0 109.176 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 42' ' ' ILE . 4.6 tt0 -40.99 -40.19 1.36 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.642 -0.661 . . . . 0.0 109.699 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.456 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 5.3 mt -75.48 -35.22 60.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.321 -0.862 . . . . 0.0 109.796 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.484 ' HB2' ' O ' ' A' ' 42' ' ' ILE . 25.0 mtp -47.72 -46.82 30.05 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.423 -0.798 . . . . 0.0 110.192 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.523 ' CB ' ' HE2' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -42.61 -31.24 0.43 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.334 -0.854 . . . . 0.0 110.212 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.523 ' HE2' ' CB ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -79.66 158.99 26.89 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.251 -0.906 . . . . 0.0 109.94 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -179.56 85.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.202 -0.936 . . . . 0.0 110.244 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.457 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 23.1 t -129.49 20.94 5.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.287 -0.883 . . . . 0.0 110.247 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER 171.93 -27.62 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.283 -0.885 . . . . 0.0 110.264 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' ARG . 9.1 p -42.79 -62.79 0.91 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.292 -0.88 . . . . 0.0 110.235 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -51.03 -34.07 27.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.277 -0.889 . . . . 0.0 110.199 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 57' ' ' PHE . 50.8 t-20 -71.66 -25.35 62.09 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.27 -0.894 . . . . 0.0 109.663 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -43.31 55.41 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.316 -0.865 . . . . 0.0 109.699 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -67.1 -36.25 81.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.317 -0.864 . . . . 0.0 109.97 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.539 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . -83.27 -22.56 32.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.276 -0.89 . . . . 0.0 110.114 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 53' ' ' ASN . 47.4 t80 -96.81 -3.9 41.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.136 -0.978 . . . . 0.0 110.472 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -116.43 -28.88 6.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.08 -1.012 . . . . 0.0 110.645 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.539 ' C ' ' CD1' ' A' ' 59' ' ' TYR . 2.1 p90 -45.03 -27.73 0.6 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.066 -1.021 . . . . 0.0 110.155 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.458 ' O ' ' HB ' ' A' ' 61' ' ' VAL . 1.0 OUTLIER -74.41 170.29 15.96 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.327 -0.858 . . . . 0.0 110.249 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.458 ' HB ' ' O ' ' A' ' 60' ' ' ARG . 1.6 p . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.138 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.235 0.541 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.518 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 22.1 p30 -161.58 100.88 1.18 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.903 . . . . 0.0 110.218 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 2' ' ' ASP . 7.6 t -160.97 -58.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.305 -0.872 . . . . 0.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.6 OUTLIER -77.41 57.74 1.57 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.129 -0.982 . . . . 0.0 110.243 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 7.3 t70 175.83 -56.18 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.211 -0.931 . . . . 0.0 110.198 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.468 HD11 HG22 ' A' ' 6' ' ' ILE . 18.1 mm 42.81 38.76 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.24 -0.912 . . . . 0.0 110.318 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 6' ' ' ILE . 18.8 m 42.68 61.7 1.99 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.284 -0.885 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.427 ' C ' ' HD3' ' A' ' 10' ' ' PRO . . . -57.75 -168.44 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.272 -0.893 . . . . 0.0 110.208 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 9' ' ' ASP . 7.2 p-10 -118.15 56.19 2.38 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.258 -0.901 . . . . 0.0 110.459 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.427 ' HD3' ' C ' ' A' ' 8' ' ' ALA . 44.5 Cg_endo -71.19 -3.21 12.46 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 O-C-N 123.912 1.48 . . . . 0.0 110.457 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -89.35 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.262 -0.899 . . . . 0.0 110.145 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.462 HG22 ' HD3' ' A' ' 14' ' ' PRO . 18.4 m -93.92 -35.52 12.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.281 -0.887 . . . . 0.0 110.106 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 17' ' ' GLU . . . 41.86 59.49 9.51 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.385 -0.822 . . . . 0.0 110.424 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.51 ' O ' ' N ' ' A' ' 17' ' ' GLU . 42.0 Cg_endo -70.63 -82.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 O-C-N 124.026 1.54 . . . . 0.0 110.447 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -42.13 -34.95 0.81 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.125 -0.984 . . . . 0.0 110.18 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 20' ' ' MET . 3.0 m -72.37 -28.51 63.07 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.248 -0.907 . . . . 0.0 110.102 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -66.45 -43.03 86.7 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.138 -0.976 . . . . 0.0 109.654 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.469 ' O ' HD11 ' A' ' 22' ' ' ILE . 14.5 tpt180 -69.86 -42.58 73.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.325 -0.859 . . . . 0.0 109.734 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.0 ttt -61.92 -49.93 74.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.302 -0.874 . . . . 0.0 109.585 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.466 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -57.28 -39.6 76.01 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.42 -0.8 . . . . 0.0 109.272 179.506 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 17.6 tpp180 -56.65 -46.6 80.97 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.461 -0.774 . . . . 0.0 110.072 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.569 ' N ' ' CD1' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -68.87 -50.84 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.273 -0.892 . . . . 0.0 109.79 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 9.4 m-80 -56.31 -26.75 53.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 0.0 110.038 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.469 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -75.82 -45.92 33.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.899 . . . . 0.0 110.035 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -57.89 -40.19 79.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 0.0 110.154 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 12.4 mmtt -72.24 -64.51 0.93 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.224 -0.922 . . . . 0.0 110.207 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.555 ' HA ' ' CE3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -42.3 -48.74 5.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.24 -0.913 . . . . 0.0 110.396 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.469 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -63.36 -40.63 97.8 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.207 -0.933 . . . . 0.0 110.186 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -53.41 -59.24 4.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.11 -0.994 . . . . 0.0 109.814 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 17.5 t -59.87 -28.07 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.323 -0.861 . . . . 0.0 109.79 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.613 ' CE1' ' CG2' ' A' ' 35' ' ' VAL . 11.1 t80 -68.44 -51.43 43.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.408 -0.808 . . . . 0.0 109.973 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -57.16 -42.9 81.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.251 -0.905 . . . . 0.0 110.096 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.4 m -69.92 -44.1 70.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.258 -0.901 . . . . 0.0 110.225 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 30' ' ' VAL . 54.4 t -61.99 -51.55 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 110.133 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.613 ' CG2' ' CE1' ' A' ' 31' ' ' PHE . 18.8 t -56.97 -40.04 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.209 -0.932 . . . . 0.0 109.981 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -59.08 -48.12 82.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.27 -0.893 . . . . 0.0 109.797 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.466 ' O ' HG12 ' A' ' 41' ' ' ILE . 14.3 t80 -55.41 -44.96 76.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.907 . . . . 0.0 109.719 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -55.74 -45.67 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.293 -0.879 . . . . 0.0 109.935 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -41.79 79.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.241 -0.912 . . . . 0.0 109.743 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 90.3 mm-40 -60.2 -38.37 83.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.456 -0.777 . . . . 0.0 109.878 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 37' ' ' TYR . 21.3 mm -62.38 -55.5 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.287 -0.883 . . . . 0.0 109.723 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.421 HD13 HG23 ' A' ' 42' ' ' ILE . 6.0 mt -48.91 -65.82 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.299 -0.876 . . . . 0.0 109.504 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.456 ' O ' ' HB3' ' A' ' 47' ' ' LYS . 28.6 tt0 -46.5 -32.33 3.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.526 -0.734 . . . . 0.0 110.097 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' A' ' 47' ' ' LYS . 1.3 mt -74.55 -29.18 61.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.202 -0.936 . . . . 0.0 110.151 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' ILE . 2.5 tpt -68.77 -48.23 64.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.247 -0.908 . . . . 0.0 110.078 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.4 m -74.91 -41.07 60.42 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.883 . . . . 0.0 110.331 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.531 ' CG ' ' N ' ' A' ' 48' ' ' ARG . 10.6 ttpp -99.72 172.21 7.41 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.263 -0.898 . . . . 0.0 110.09 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.531 ' N ' ' CG ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -106.33 154.16 21.16 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.241 -0.912 . . . . 0.0 110.075 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 p -69.23 -85.16 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.233 -0.917 . . . . 0.0 110.171 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.457 ' HA ' ' OD1' ' A' ' 53' ' ' ASN . 3.2 tpt180 -135.62 9.21 3.37 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.244 -0.91 . . . . 0.0 110.139 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.503 ' OG ' ' N ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -62.26 -80.36 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.206 -0.934 . . . . 0.0 110.258 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.514 ' N ' ' CD1' ' A' ' 52' ' ' LEU . 5.8 mp -45.48 -28.63 0.94 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.213 -0.93 . . . . 0.0 109.929 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.457 ' OD1' ' HA ' ' A' ' 50' ' ' ARG . 5.5 m120 -58.6 -66.26 0.52 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.297 -0.877 . . . . 0.0 109.84 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -38.47 53.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.335 -0.853 . . . . 0.0 109.845 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -62.39 -40.16 95.59 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.282 -0.886 . . . . 0.0 109.969 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.581 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . -77.78 -21.75 51.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.284 -0.885 . . . . 0.0 110.085 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.52 -7.2 44.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.22 -0.925 . . . . 0.0 110.38 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -114.79 -18.11 11.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.174 -0.954 . . . . 0.0 110.584 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.581 ' CE1' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -70.56 -3.94 20.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.131 -0.981 . . . . 0.0 110.301 -179.841 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.53 ' N ' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -42.6 140.46 1.27 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.31 -0.869 . . . . 0.0 110.227 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.454 ' HB ' ' O ' ' A' ' 60' ' ' ARG . 1.6 p . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.115 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.5 t . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.23 0.538 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.75 32.79 4.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.291 -0.881 . . . . 0.0 110.171 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.519 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 22.4 t -79.85 -53.17 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.347 -0.845 . . . . 0.0 110.238 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.569 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 12.6 mt 40.4 31.37 0.1 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.357 -0.839 . . . . 0.0 110.311 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 4' ' ' LEU . 6.1 t0 79.59 -23.72 0.23 Allowed 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.781 -0.574 . . . . 0.0 111.376 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 1.9 pp -42.04 -26.75 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 120.984 -1.072 . . . . 0.0 110.545 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.444 ' CG2' ' OD1' ' A' ' 9' ' ' ASP . 0.6 OUTLIER -130.9 -54.12 1.06 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.107 -0.996 . . . . 0.0 110.022 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.454 ' O ' ' HD3' ' A' ' 10' ' ' PRO . . . 41.43 49.97 3.56 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.263 -0.898 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.457 ' CB ' ' HB2' ' A' ' 13' ' ' ALA . 19.2 p-10 -107.27 75.57 0.45 Allowed Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.228 -0.92 . . . . 0.0 110.443 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 8' ' ' ALA . 45.4 Cg_endo -72.07 -56.31 0.1 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 O-C-N 123.888 1.468 . . . . 0.0 110.256 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.12 -44.07 2.71 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.318 -0.864 . . . . 0.0 110.154 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.526 ' CG2' ' O ' ' A' ' 12' ' ' THR . 4.7 m -142.42 9.54 1.84 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.219 -0.925 . . . . 0.0 110.233 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.498 ' N ' ' CD ' ' A' ' 14' ' ' PRO . . . 40.17 50.26 3.4 Favored Pre-proline 0 N--CA 1.493 1.722 0 O-C-N 121.373 -0.83 . . . . 0.0 110.758 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 13' ' ' ALA . 47.1 Cg_endo -71.65 -50.97 0.26 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 O-C-N 123.871 1.458 . . . . 0.0 110.209 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -56.13 -42.97 77.74 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.255 -0.903 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 7' ' ' THR . 3.0 m -68.58 -28.6 67.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.171 -0.955 . . . . 0.0 110.113 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.462 ' OE2' ' HE2' ' A' ' 20' ' ' MET . 0.3 OUTLIER -60.29 -49.05 79.14 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 121.103 -0.998 . . . . 0.0 109.975 179.757 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 ttm-85 -69.82 -39.59 76.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.365 -0.834 . . . . 0.0 110.001 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 tpp -60.31 -40.32 90.11 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.288 -0.883 . . . . 0.0 110.029 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.462 ' HE2' ' OE2' ' A' ' 17' ' ' GLU . 5.0 mtm -66.16 -50.18 64.83 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.19 -0.944 . . . . 0.0 109.461 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.404 ' HD3' ' HA ' ' A' ' 21' ' ' ARG . 24.2 tpp180 -58.17 -29.35 65.54 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.418 -0.801 . . . . 0.0 110.068 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.413 HG23 HD11 ' A' ' 22' ' ' ILE . 12.1 mm -79.12 -37.76 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 110.199 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -64.12 -33.99 77.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.177 -0.952 . . . . 0.0 110.143 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.553 ' CE3' ' HA ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -79.16 -49.92 11.81 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.194 -0.941 . . . . 0.0 110.035 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 18.0 tttt -62.74 -32.06 73.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.333 -0.854 . . . . 0.0 110.129 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' TRP . 8.6 tttp -77.62 -61.27 2.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.862 . . . . 0.0 110.109 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.454 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 8.0 t-105 -42.24 -49.06 5.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.413 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -70.09 -44.82 68.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.161 -0.962 . . . . 0.0 110.264 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -54.14 -59.73 4.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.201 -0.937 . . . . 0.0 109.976 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.527 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 93.5 t -62.24 -27.02 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.225 -0.922 . . . . 0.0 109.798 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.461 ' O ' HG21 ' A' ' 35' ' ' VAL . 5.3 t80 -67.78 -52.18 40.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.39 -0.819 . . . . 0.0 109.981 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -40.47 90.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.237 -0.914 . . . . 0.0 110.223 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -43.14 70.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.279 -0.888 . . . . 0.0 110.221 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 30' ' ' VAL . 50.2 t -60.09 -52.27 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.253 -0.905 . . . . 0.0 110.184 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 31' ' ' PHE . 9.7 t -60.65 -43.84 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 110.046 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 50.3 m-20 -62.16 -39.5 92.86 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.192 -0.943 . . . . 0.0 109.805 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.635 ' CZ ' ' CD1' ' A' ' 41' ' ' ILE . 15.9 t80 -60.51 -40.51 91.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.33 -0.856 . . . . 0.0 109.857 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.93 -48.68 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.253 -0.904 . . . . 0.0 109.886 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -57.11 -26.42 60.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.15 -0.968 . . . . 0.0 109.559 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.457 ' O ' HD22 ' A' ' 44' ' ' LEU . 26.0 mm100 -73.12 -57.48 3.99 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.383 -0.823 . . . . 0.0 109.939 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.635 ' CD1' ' CZ ' ' A' ' 37' ' ' TYR . 60.6 mt -61.98 -30.88 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.196 -0.94 . . . . 0.0 109.526 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.34 -55.31 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.475 -0.766 . . . . 0.0 109.647 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 47' ' ' LYS . 2.8 tt0 -54.53 -42.95 71.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.293 -0.879 . . . . 0.0 109.629 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 3.1 mm? -62.98 -46.08 89.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.345 -0.847 . . . . 0.0 110.289 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -58.8 6.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.287 -0.883 . . . . 0.0 110.238 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 47' ' ' LYS . 28.8 m -73.33 -23.01 60.19 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 110.183 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.536 ' O ' ' CG ' ' A' ' 48' ' ' ARG . 0.4 OUTLIER 59.06 14.76 3.61 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.258 -0.901 . . . . 0.0 110.266 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 47' ' ' LYS . 12.0 ptt180 38.54 36.39 0.13 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.543 -0.723 . . . . 0.0 110.603 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 p -161.28 134.0 6.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.271 -0.893 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.88 14.74 6.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.267 -0.896 . . . . 0.0 110.307 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -58.84 5.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.224 -0.923 . . . . 0.0 110.159 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.5 mt -60.19 -27.58 67.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.214 -0.929 . . . . 0.0 110.066 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -78.43 -25.53 46.02 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.242 -0.911 . . . . 0.0 109.601 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 58' ' ' TYR . 46.2 t -76.2 -36.5 58.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.311 -0.868 . . . . 0.0 109.656 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.06 -39.33 55.72 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.29 -0.881 . . . . 0.0 109.921 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.83 -40.77 88.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.0 110.026 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -77.81 -24.7 48.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.863 . . . . 0.0 110.119 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.455 ' HB2' ' O ' ' A' ' 54' ' ' SER . 28.4 t80 -88.7 -12.11 43.28 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 110.192 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 7.6 t80 -115.77 12.67 15.98 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.281 -0.887 . . . . 0.0 110.137 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -129.84 6.08 5.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.13 -0.982 . . . . 0.0 110.156 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.462 ' HB ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.168 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.297 0.57 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 3.9 m-20 -105.93 101.09 10.61 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.163 -0.961 . . . . 0.0 110.164 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.463 HG12 ' CG2' ' A' ' 7' ' ' THR . 54.8 t -99.34 9.85 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.227 -0.921 . . . . 0.0 110.141 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.543 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -117.38 45.04 1.99 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.399 -0.813 . . . . 0.0 110.132 179.328 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -172.72 -54.96 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.515 -0.741 . . . . 0.0 110.087 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.495 HD12 HG22 ' A' ' 6' ' ' ILE . 8.8 mm -109.44 40.7 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.099 -1.001 . . . . 0.0 110.111 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 6' ' ' ILE . 1.2 m -176.99 -30.75 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.357 -0.84 . . . . 0.0 110.037 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.16 -72.09 0.06 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.13 -0.981 . . . . 0.0 110.327 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.451 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 6.2 t70 -153.82 95.63 2.81 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.225 -0.922 . . . . 0.0 110.328 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -72.92 -37.88 3.33 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 O-C-N 124.016 1.535 . . . . 0.0 110.318 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.462 ' O ' ' HB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -117.13 -78.11 0.58 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.312 -0.867 . . . . 0.0 110.056 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.462 ' HB ' ' O ' ' A' ' 11' ' ' THR . 5.7 t -177.45 28.44 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.307 -0.871 . . . . 0.0 110.435 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.583 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . . . -74.77 -62.58 0.89 Allowed Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.167 -0.958 . . . . 0.0 110.392 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.583 ' CD ' ' CB ' ' A' ' 13' ' ' ALA . 47.4 Cg_endo -72.65 -2.5 11.95 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 O-C-N 123.735 1.387 . . . . 0.0 110.065 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -84.08 -32.07 24.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.249 -0.907 . . . . 0.0 110.141 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.55 ' CG2' ' N ' ' A' ' 17' ' ' GLU . 2.9 t -72.22 -44.92 62.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.203 -0.936 . . . . 0.0 110.12 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.55 ' N ' ' CG2' ' A' ' 16' ' ' THR . 0.8 OUTLIER -52.82 -44.97 67.05 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.243 -0.91 . . . . 0.0 110.267 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -69.56 -40.96 76.48 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.299 -0.876 . . . . 0.0 110.035 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -44.15 97.4 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.231 -0.918 . . . . 0.0 109.859 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.452 ' HG3' ' O ' ' A' ' 16' ' ' THR . 5.3 mtt -61.32 -44.25 97.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.24 -0.912 . . . . 0.0 109.427 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -55.16 -41.57 72.01 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.376 -0.827 . . . . 0.0 110.04 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.9 mm -64.54 -52.53 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.24 -0.912 . . . . 0.0 110.11 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.452 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 14.1 m-80 -58.9 -20.1 48.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.925 . . . . 0.0 110.051 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -78.08 -47.63 17.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.297 -0.877 . . . . 0.0 110.138 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -42.02 99.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.249 -0.907 . . . . 0.0 110.069 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' TRP . 3.6 tptm -68.32 -61.21 1.94 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.269 -0.895 . . . . 0.0 110.002 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.458 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 8.5 t90 -42.63 -40.84 2.87 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.299 -0.876 . . . . 0.0 110.141 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.457 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -65.47 -46.41 79.92 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.323 -0.861 . . . . 0.0 110.092 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.25 -61.76 2.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 109.747 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.445 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 15.9 t -59.2 -27.73 37.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.335 -0.853 . . . . 0.0 109.736 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CE1' HG23 ' A' ' 35' ' ' VAL . 7.8 t80 -67.01 -52.77 38.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.384 -0.822 . . . . 0.0 109.872 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -56.24 -43.46 78.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.164 -0.96 . . . . 0.0 109.992 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 66.5 m -67.77 -44.55 77.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.29 -0.881 . . . . 0.0 110.119 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' A' ' 30' ' ' VAL . 54.5 t -61.77 -46.28 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.241 -0.912 . . . . 0.0 110.072 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 31' ' ' PHE . 20.8 t -56.92 -44.6 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.205 -0.934 . . . . 0.0 109.857 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.27 -51.3 68.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.0 109.789 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.468 ' O ' HG12 ' A' ' 41' ' ' ILE . 10.7 t80 -55.35 -44.86 76.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.912 . . . . 0.0 109.578 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' O ' HG12 ' A' ' 42' ' ' ILE . 66.3 t -56.66 -45.08 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.338 -0.851 . . . . 0.0 109.863 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -55.95 -42.62 76.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.23 -0.919 . . . . 0.0 109.668 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -60.1 -39.41 86.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.471 -0.768 . . . . 0.0 109.726 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 37' ' ' TYR . 20.9 mm -62.07 -40.14 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.328 -0.857 . . . . 0.0 109.87 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 38' ' ' VAL . 22.8 mm -61.51 -47.14 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.362 -0.836 . . . . 0.0 109.958 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -59.81 -36.13 76.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.296 -0.878 . . . . 0.0 110.166 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 mt -74.0 -43.36 58.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.222 -0.924 . . . . 0.0 110.23 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -49.01 -43.89 40.76 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.225 -0.922 . . . . 0.0 110.15 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' MET . 13.1 t -44.51 -30.08 0.82 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.288 -0.882 . . . . 0.0 110.19 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.465 ' O ' ' HD3' ' A' ' 48' ' ' ARG . 2.3 mmtp -60.66 -33.96 73.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.248 -0.907 . . . . 0.0 110.156 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' A' ' 47' ' ' LYS . 9.3 mmt-85 -120.25 -77.0 0.58 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.248 -0.908 . . . . 0.0 109.994 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 p 47.83 33.23 3.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.264 -0.897 . . . . 0.0 110.205 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -125.97 -30.64 2.96 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.201 -0.937 . . . . 0.0 110.225 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -43.97 -58.83 2.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.21 -0.931 . . . . 0.0 110.328 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.1 mt -54.88 -28.43 50.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.929 . . . . 0.0 110.21 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -78.69 -25.97 44.87 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.175 -0.953 . . . . 0.0 109.64 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 58' ' ' TYR . 20.1 t -75.75 -32.58 60.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.325 -0.859 . . . . 0.0 109.676 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -78.96 -42.31 27.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.331 -0.856 . . . . 0.0 109.955 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.27 -36.8 83.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 0.0 110.07 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.497 ' CE1' HG11 ' A' ' 61' ' ' VAL . 2.1 t80 -83.68 -23.75 31.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 0.0 110.151 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.489 ' CB ' ' O ' ' A' ' 54' ' ' SER . 68.7 t80 -91.29 -8.74 47.38 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.889 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.58 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 34.8 t80 -113.57 10.76 18.15 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.2 -0.937 . . . . 0.0 110.193 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.518 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -149.18 23.06 0.94 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.118 -0.989 . . . . 0.0 110.232 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 60' ' ' ARG . 2.4 t . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.001 -1.0 . . . . 0.0 109.835 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.216 0.531 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' OE1' ' CA ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -60.71 -47.07 87.94 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.14 -0.975 . . . . 0.0 110.026 179.801 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 ttm-85 -69.02 -43.16 75.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.366 -0.834 . . . . 0.0 109.964 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -43.28 95.97 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.238 -0.914 . . . . 0.0 109.938 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -44.22 97.61 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.221 -0.924 . . . . 0.0 109.308 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.526 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 2.0 ttt85 -54.17 -43.65 70.82 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.421 -0.799 . . . . 0.0 109.958 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.503 ' HA ' ' HG3' ' A' ' 25' ' ' LYS . 40.0 mm -65.4 -35.65 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.287 -0.883 . . . . 0.0 110.077 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -62.85 -42.49 99.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.277 -0.889 . . . . 0.0 110.156 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.46 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 1.4 t90 -68.21 -35.5 78.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 109.764 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 21' ' ' ARG . 1.4 mmtm -59.41 -53.63 56.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.363 -0.836 . . . . 0.0 110.117 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' TRP . 2.5 mmtp -65.3 -58.18 6.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.268 -0.895 . . . . 0.0 110.05 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.479 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 6.2 t-105 -42.33 -39.35 2.11 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.327 -0.858 . . . . 0.0 110.244 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.46 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -69.66 -43.63 72.16 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.247 -0.908 . . . . 0.0 110.057 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.82 -61.65 2.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.229 -0.92 . . . . 0.0 109.785 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.757 ' O ' HG23 ' A' ' 34' ' ' VAL . 63.5 t -59.06 -27.77 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.892 . . . . 0.0 109.693 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.995 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.7 t80 -67.52 -52.28 40.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.374 -0.829 . . . . 0.0 109.827 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -56.31 -43.3 78.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.238 -0.914 . . . . 0.0 110.02 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -43.12 76.58 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.236 -0.915 . . . . 0.0 110.154 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 30' ' ' VAL . 53.8 t -62.5 -46.6 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.223 -0.923 . . . . 0.0 110.101 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.995 HG23 ' O ' ' A' ' 31' ' ' PHE . 16.4 t -58.8 -43.71 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 109.919 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -56.48 -47.66 78.77 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.229 -0.92 . . . . 0.0 109.803 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.566 ' CE1' HD11 ' A' ' 41' ' ' ILE . 18.6 t80 -54.88 -46.62 74.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.257 -0.902 . . . . 0.0 109.775 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.3 t -55.67 -46.54 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.256 -0.902 . . . . 0.0 109.912 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -54.06 -43.92 70.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.27 -0.894 . . . . 0.0 109.661 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -59.13 -39.69 83.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.52 -0.738 . . . . 0.0 109.785 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.566 HD11 ' CE1' ' A' ' 37' ' ' TYR . 18.6 mm -63.56 -56.39 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 0.0 109.674 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 45' ' ' MET . 7.2 mt -46.2 -67.42 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.325 -0.859 . . . . 0.0 109.408 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -44.16 -37.54 3.2 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.423 -0.798 . . . . 0.0 109.796 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mt -68.53 -29.85 68.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.347 -0.846 . . . . 0.0 110.021 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' ILE . 1.2 ttt -83.88 -33.57 24.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.861 . . . . 0.0 110.207 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.304 -0.873 . . . . 0.0 110.462 -179.796 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.267 0.556 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.5 tp -55.22 -28.74 55.31 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.21 -0.931 . . . . 0.0 110.188 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' A' ' 57' ' ' PHE . 22.9 t-20 -78.18 -25.71 47.31 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.28 -0.887 . . . . 0.0 109.595 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 58' ' ' TYR . 8.1 t -75.3 -35.21 61.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.331 -0.855 . . . . 0.0 109.73 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.38 -40.87 42.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.332 -0.855 . . . . 0.0 109.972 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.44 88.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.284 -0.885 . . . . 0.0 110.097 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' A' ' 53' ' ' ASN . 6.4 m-85 -84.03 -20.62 32.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.237 -0.914 . . . . 0.0 110.177 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.491 ' CB ' ' O ' ' A' ' 54' ' ' SER . 49.2 t80 . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.19 -0.944 . . . . 0.0 110.291 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.199 0.523 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CA ' ' OE1' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -60.64 -46.51 90.03 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.168 -0.958 . . . . 0.0 110.059 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.08 -42.81 68.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.336 -0.853 . . . . 0.0 110.099 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -38.87 89.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.242 -0.911 . . . . 0.0 110.059 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.2 mmt -65.14 -48.68 72.73 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.187 -0.946 . . . . 0.0 109.497 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.3 ttm-85 -55.83 -33.93 64.93 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.39 -0.818 . . . . 0.0 110.036 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 22' ' ' ILE . 16.1 mm -72.83 -36.53 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 0.0 110.226 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -68.09 -29.16 68.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.0 110.187 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.525 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -77.82 -47.43 18.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.239 -0.913 . . . . 0.0 110.125 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -58.97 -40.48 84.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.279 -0.888 . . . . 0.0 110.141 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' TRP . 1.2 tttt -73.67 -53.01 11.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 0.0 110.095 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' LYS . 45.0 t-105 -42.11 -51.64 4.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.277 -0.89 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.461 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -68.06 -43.11 79.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.237 -0.914 . . . . 0.0 110.181 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -55.18 -60.48 3.32 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.234 -0.916 . . . . 0.0 109.922 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.796 ' O ' HG23 ' A' ' 34' ' ' VAL . 92.8 t -59.58 -27.52 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.314 -0.866 . . . . 0.0 109.732 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.893 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.4 t80 -67.67 -52.33 39.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.366 -0.834 . . . . 0.0 109.955 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -57.46 -42.37 82.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.171 -0.956 . . . . 0.0 110.14 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 m -69.63 -42.68 74.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.294 -0.879 . . . . 0.0 110.205 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 30' ' ' VAL . 49.5 t -59.91 -48.87 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.22 -0.925 . . . . 0.0 110.176 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 31' ' ' PHE . 11.1 t -59.15 -46.6 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.205 -0.934 . . . . 0.0 109.978 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.94 -43.44 81.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.223 -0.923 . . . . 0.0 109.814 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.572 ' CE1' HD11 ' A' ' 41' ' ' ILE . 18.8 t80 -56.88 -45.51 82.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.305 -0.872 . . . . 0.0 109.807 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.94 -46.73 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.875 . . . . 0.0 109.941 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -54.95 -42.21 72.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.216 -0.927 . . . . 0.0 109.764 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -60.21 -40.71 91.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.411 -0.806 . . . . 0.0 109.892 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.572 HD11 ' CE1' ' A' ' 37' ' ' TYR . 18.5 mm -60.67 -53.21 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.884 . . . . 0.0 109.749 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.3 mt -50.1 -65.96 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.303 -0.873 . . . . 0.0 109.555 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -46.75 -29.47 1.93 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.54 -0.725 . . . . 0.0 110.149 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 44' ' ' LEU . 1.5 mt -78.09 -30.27 49.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.184 -0.947 . . . . 0.0 110.231 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -54.03 39.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.247 -0.908 . . . . 0.0 110.195 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.206 -0.934 . . . . 0.0 110.142 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.28 0.562 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.44 -27.4 47.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.208 -0.932 . . . . 0.0 110.194 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -78.7 -25.36 44.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.185 -0.947 . . . . 0.0 109.689 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 58' ' ' TYR . 12.4 t -76.65 -35.66 57.86 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.281 -0.887 . . . . 0.0 109.69 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.25 -39.01 49.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.835 . . . . 0.0 109.993 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.53 -42.61 82.45 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.238 -0.914 . . . . 0.0 110.052 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -76.79 -25.58 53.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.337 -0.852 . . . . 0.0 110.113 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.481 ' HB3' ' O ' ' A' ' 54' ' ' SER . 36.2 t80 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.201 -0.937 . . . . 0.0 110.188 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 20' ' ' MET . 3.1 m . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.202 0.525 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -41.72 98.79 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.174 -0.954 . . . . 0.0 109.828 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -43.26 62.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.278 -0.889 . . . . 0.0 109.873 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -43.17 99.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 109.943 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.468 ' HB2' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -62.73 -44.03 97.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.913 . . . . 0.0 109.437 179.5 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -56.2 -39.13 71.95 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.345 -0.847 . . . . 0.0 110.004 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.7 mm -66.32 -55.42 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 110.164 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 3.2 m-20 -57.84 -27.2 62.98 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 0.0 110.157 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.411 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -73.65 -40.71 63.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.265 -0.897 . . . . 0.0 110.132 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 1.8 ttpm? -64.97 -40.98 95.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.252 -0.905 . . . . 0.0 110.089 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' TRP . 22.5 tptt -69.65 -62.75 1.26 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.27 -0.894 . . . . 0.0 110.083 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.459 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -42.38 -54.51 3.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.322 -0.861 . . . . 0.0 110.184 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.435 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -60.01 -35.47 75.12 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 110.053 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 1.4 tm0? -55.92 -61.54 2.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.21 -0.931 . . . . 0.0 109.831 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -58.32 -27.74 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.316 -0.865 . . . . 0.0 109.739 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.799 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.0 t80 -68.7 -51.22 43.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -0.826 . . . . 0.0 109.938 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.15 -41.19 78.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 110.106 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -65.3 -60.71 2.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.229 -0.919 . . . . 0.0 110.187 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.1 t -53.35 -53.54 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.248 -0.908 . . . . 0.0 110.186 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 31' ' ' PHE . 38.9 t -55.5 -38.71 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.892 . . . . 0.0 110.039 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 33' ' ' THR . 13.6 m-20 -59.33 -49.0 79.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.219 -0.925 . . . . 0.0 109.821 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.565 ' CE1' HD11 ' A' ' 41' ' ' ILE . 16.9 t80 -55.16 -44.86 75.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.244 -0.91 . . . . 0.0 109.711 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.1 t -56.77 -46.59 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.308 -0.87 . . . . 0.0 109.897 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -56.53 -42.56 78.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -0.913 . . . . 0.0 109.697 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.485 ' O ' HD23 ' A' ' 44' ' ' LEU . 4.6 tt0 -57.62 -41.12 80.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.446 -0.784 . . . . 0.0 109.613 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 37' ' ' TYR . 18.2 mm -60.41 -47.57 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 0.0 109.678 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.5 mm -52.16 -50.07 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.289 -0.882 . . . . 0.0 109.705 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -53.35 -50.0 65.95 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.265 -0.897 . . . . 0.0 109.701 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 40' ' ' GLN . 3.0 mm? -53.91 -44.31 70.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.367 -0.833 . . . . 0.0 110.197 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.93 -53.84 29.38 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.874 . . . . 0.0 110.199 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.228 -0.92 . . . . 0.0 110.217 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 53' ' ' ASN . 78.9 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.245 0.545 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' SER . 6.2 mt -43.31 -26.63 0.19 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 0.0 110.069 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 2.0 m120 -64.93 -60.02 3.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.33 -0.856 . . . . 0.0 109.845 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 t -55.2 -32.82 62.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.358 -0.839 . . . . 0.0 109.86 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.46 -42.79 82.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.259 -0.9 . . . . 0.0 110.041 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.78 96.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.233 -0.917 . . . . 0.0 110.085 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.435 ' C ' ' CD1' ' A' ' 57' ' ' PHE . 11.0 t80 -69.84 -25.29 63.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.273 -0.892 . . . . 0.0 110.13 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.3 t80 . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.27 -0.893 . . . . 0.0 110.193 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.193 0.521 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -46.8 82.92 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.171 -0.955 . . . . 0.0 110.055 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' O ' HG12 ' A' ' 22' ' ' ILE . 22.8 ttt-85 -67.65 -35.82 79.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.307 -0.871 . . . . 0.0 109.957 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.9 ttt -63.49 -51.38 65.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.864 . . . . 0.0 109.763 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.6 mmt -57.64 -40.28 78.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.412 -0.805 . . . . 0.0 109.483 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -57.57 -42.48 83.17 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.487 -0.758 . . . . 0.0 110.087 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 18' ' ' ARG . 36.0 mm -69.65 -44.82 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.313 -0.867 . . . . 0.0 110.143 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.467 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 8.1 m-20 -58.95 -29.19 66.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.25 -0.906 . . . . 0.0 110.179 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -76.73 -46.06 26.87 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.246 -0.909 . . . . 0.0 110.162 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -61.02 -40.7 94.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.233 -0.917 . . . . 0.0 110.12 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -68.78 -59.97 2.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.286 -0.884 . . . . 0.0 110.136 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.467 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -42.25 -44.5 3.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.256 -0.903 . . . . 0.0 110.253 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -38.56 83.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.257 -0.902 . . . . 0.0 110.089 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 26' ' ' LYS . 6.4 mt-30 -57.55 -63.08 1.36 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.195 -0.94 . . . . 0.0 109.856 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.763 ' O ' HG23 ' A' ' 34' ' ' VAL . 21.2 t -57.44 -29.42 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 0.0 109.718 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.977 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.9 t80 -66.78 -52.06 48.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.403 -0.81 . . . . 0.0 109.908 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.401 ' O ' ' OD2' ' A' ' 36' ' ' ASP . 0.4 OUTLIER -55.56 -43.72 76.16 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.205 -0.935 . . . . 0.0 110.04 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -67.77 -41.11 83.8 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.346 -0.846 . . . . 0.0 110.108 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 30' ' ' VAL . 56.8 t -64.37 -46.58 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.939 . . . . 0.0 110.157 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.977 HG23 ' O ' ' A' ' 31' ' ' PHE . 12.0 t -58.7 -41.94 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.193 -0.942 . . . . 0.0 109.953 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 32' ' ' TYR . 2.0 m-20 -58.7 -49.08 78.91 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.244 -0.91 . . . . 0.0 109.893 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.96 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 37.9 t80 -54.74 -41.42 70.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.275 -0.89 . . . . 0.0 109.84 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 34' ' ' VAL . 88.2 t -64.82 -49.6 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.899 . . . . 0.0 109.918 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -28.25 41.1 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.231 -0.918 . . . . 0.0 109.696 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -58.48 3.39 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.387 -0.82 . . . . 0.0 109.918 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.96 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 61.9 mt -61.91 -24.74 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.174 -0.954 . . . . 0.0 109.784 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -68.98 -51.35 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.453 -0.779 . . . . 0.0 109.904 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -62.22 -35.26 78.35 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.287 -0.883 . . . . 0.0 109.971 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 44' ' ' LEU . 4.7 mt -70.8 -35.38 72.51 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.31 -0.869 . . . . 0.0 110.141 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -54.21 48.01 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 0.0 110.227 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 110.154 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.418 0.628 . . . . 0.0 109.912 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.705 ' C ' HD12 ' A' ' 52' ' ' LEU . 3.7 pp -80.58 -25.92 38.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.325 -0.859 . . . . 0.0 110.444 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.524 ' N ' HD12 ' A' ' 52' ' ' LEU . 11.6 p30 -80.04 -36.11 36.23 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.976 -1.078 . . . . 0.0 109.126 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.414 ' N ' ' OD1' ' A' ' 53' ' ' ASN . 20.3 t -74.79 -37.01 62.51 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.361 -0.837 . . . . 0.0 109.433 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.58 -34.71 67.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.325 -0.86 . . . . 0.0 109.871 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.68 -46.75 68.25 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.214 -0.929 . . . . 0.0 110.028 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -69.13 -27.51 65.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.238 -0.914 . . . . 0.0 110.002 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.3 t80 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.29 -0.881 . . . . 0.0 110.167 179.926 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.209 0.528 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.16 -47.6 85.44 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.194 -0.941 . . . . 0.0 110.008 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.472 ' O ' HG12 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -69.19 -42.89 75.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.33 -0.856 . . . . 0.0 110.062 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -41.4 90.28 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.26 -0.9 . . . . 0.0 109.99 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.6 mtt -63.53 -47.02 83.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.0 109.411 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -54.55 -35.97 63.82 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.456 -0.777 . . . . 0.0 110.056 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 18' ' ' ARG . 17.1 mm -68.37 -50.78 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 0.0 110.189 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -55.68 -29.51 59.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.903 . . . . 0.0 110.209 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -43.84 52.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.201 -0.937 . . . . 0.0 110.148 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 1.1 tttt -60.28 -40.19 89.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 0.0 110.142 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.73 -58.73 3.79 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.271 -0.893 . . . . 0.0 110.191 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' LYS . 41.5 t-105 -42.41 -46.91 4.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.318 -0.864 . . . . 0.0 110.349 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -38.88 87.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.212 -0.93 . . . . 0.0 110.245 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 8.8 mt-30 -54.85 -60.24 3.63 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.148 -0.97 . . . . 0.0 109.93 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 34' ' ' VAL . 84.2 t -60.66 -29.17 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.238 -0.914 . . . . 0.0 109.82 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.882 ' O ' HG23 ' A' ' 35' ' ' VAL . 13.6 t80 -66.41 -51.26 58.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.368 -0.832 . . . . 0.0 110.022 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.455 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 10.6 t80 -59.12 -41.38 88.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.226 -0.921 . . . . 0.0 110.242 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.48 -49.0 63.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.244 -0.91 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 30' ' ' VAL . 55.6 t -61.32 -50.46 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.926 . . . . 0.0 110.209 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 31' ' ' PHE . 22.2 t -59.19 -36.05 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.226 -0.921 . . . . 0.0 110.066 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 32' ' ' TYR . 1.7 m-20 -62.77 -46.39 88.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.272 -0.892 . . . . 0.0 109.913 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 1.085 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 15.6 t80 -59.46 -41.77 90.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.314 -0.867 . . . . 0.0 109.877 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.43 -43.41 94.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.307 -0.871 . . . . 0.0 110.081 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -60.75 -35.63 76.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 0.0 109.9 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 22.1 mm100 -65.79 -48.04 73.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.379 -0.825 . . . . 0.0 110.002 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 1.085 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 61.9 mt -62.47 -54.2 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.24 -0.912 . . . . 0.0 109.956 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 45' ' ' MET . 5.3 mt -47.79 -67.75 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.279 -0.888 . . . . 0.0 109.584 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -45.66 -33.39 2.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.404 -0.81 . . . . 0.0 110.131 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.474 ' HA ' HD23 ' A' ' 44' ' ' LEU . 1.1 mt -72.92 -28.97 62.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.244 -0.91 . . . . 0.0 110.123 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -67.65 -53.93 23.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.306 -0.871 . . . . 0.0 110.197 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.287 -0.883 . . . . 0.0 110.238 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.6 p . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.471 0.653 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.886 HD13 ' O ' ' A' ' 52' ' ' LEU . 3.1 tm? -75.08 -34.39 61.77 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.417 -0.802 . . . . 0.0 110.019 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.543 ' OD1' ' N ' ' A' ' 54' ' ' SER . 37.1 p30 -75.72 -18.09 59.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.116 -0.99 . . . . 0.0 109.435 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.543 ' N ' ' OD1' ' A' ' 53' ' ' ASN . 32.1 t -82.39 -44.65 15.86 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.437 -0.789 . . . . 0.0 109.192 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.83 -34.3 76.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.408 -0.808 . . . . 0.0 109.661 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.41 -55.91 6.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.29 -0.881 . . . . 0.0 109.933 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 53' ' ' ASN . 2.2 m-85 -56.41 -28.01 58.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 0.0 109.853 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 77.4 t80 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.321 -0.862 . . . . 0.0 110.155 179.833 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.56 HG23 ' N ' ' A' ' 17' ' ' GLU . 7.1 t . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.179 0.514 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.56 ' N ' HG23 ' A' ' 16' ' ' THR . 0.2 OUTLIER -48.08 -49.47 31.53 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.216 -0.928 . . . . 0.0 110.274 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 6.5 tpt180 -65.05 -41.61 95.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.289 -0.882 . . . . 0.0 110.196 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.486 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -60.8 -47.63 85.47 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.176 -0.953 . . . . 0.0 109.813 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.417 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 28.4 mmt -60.67 -33.65 73.15 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.238 -0.914 . . . . 0.0 109.466 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 8.5 ttm180 -61.92 -45.81 92.07 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.438 -0.789 . . . . 0.0 110.398 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 19' ' ' MET . 0.2 OUTLIER -69.18 -40.74 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.136 -0.978 . . . . 0.0 110.183 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.48 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 16.1 m-80 -68.56 -28.17 66.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.275 -0.89 . . . . 0.0 110.184 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.477 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 9.2 t90 -74.16 -42.87 59.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.307 -0.87 . . . . 0.0 110.063 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -65.32 -41.09 94.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.331 -0.855 . . . . 0.0 110.123 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' TRP . 69.8 tttt -68.09 -64.04 0.94 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.272 -0.893 . . . . 0.0 110.163 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.48 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -42.28 -51.64 4.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.296 -0.877 . . . . 0.0 110.321 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.477 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -61.01 -35.06 75.85 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.186 -0.946 . . . . 0.0 110.103 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -66.07 0.59 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.2 -0.937 . . . . 0.0 109.912 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.553 ' O ' HG23 ' A' ' 34' ' ' VAL . 45.1 t -60.97 -22.12 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.295 -0.878 . . . . 0.0 109.816 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.787 ' O ' HG23 ' A' ' 35' ' ' VAL . 20.9 t80 -72.78 -51.24 19.82 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.405 -0.809 . . . . 0.0 109.988 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -40.86 92.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.173 -0.955 . . . . 0.0 110.155 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -49.83 30.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.282 -0.887 . . . . 0.0 110.209 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 30' ' ' VAL . 52.9 t -59.52 -52.55 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.235 -0.915 . . . . 0.0 110.22 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 31' ' ' PHE . 32.0 t -58.23 -38.15 66.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.199 -0.938 . . . . 0.0 110.046 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -60.49 -44.8 95.57 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.246 -0.909 . . . . 0.0 109.994 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.981 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 15.1 t80 -61.39 -45.42 94.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.219 -0.926 . . . . 0.0 109.904 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.43 -38.84 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.26 -0.9 . . . . 0.0 109.966 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -60.13 -38.53 83.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.283 -0.886 . . . . 0.0 109.816 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 1.4 tt0 -65.76 -52.02 54.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.488 -0.758 . . . . 0.0 109.966 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.981 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 55.0 mt -61.52 -52.27 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.285 -0.884 . . . . 0.0 109.968 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 43' ' ' GLN . 7.5 mt -47.78 -69.53 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.434 ' N ' HG22 ' A' ' 42' ' ' ILE . 10.8 tt0 -45.53 -32.51 2.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.402 -0.811 . . . . 0.0 110.097 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 44' ' ' LEU . 1.2 mt -72.73 -29.0 62.98 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.243 -0.911 . . . . 0.0 110.164 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . 1.032 ' CE ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -72.94 -53.98 9.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.326 -0.859 . . . . 0.0 110.17 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.201 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.238 0.542 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.032 HD23 ' CE ' ' A' ' 45' ' ' MET . 29.1 tp -54.45 -32.71 58.19 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.247 -0.908 . . . . 0.0 110.151 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -74.16 -25.64 59.85 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.21 -0.931 . . . . 0.0 109.575 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' ' 58' ' ' TYR . 3.1 t -73.83 -39.32 64.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.335 -0.853 . . . . 0.0 109.762 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.99 -40.21 68.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.324 -0.86 . . . . 0.0 109.974 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.95 -35.47 80.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.264 -0.898 . . . . 0.0 110.094 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -78.98 -24.4 43.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 110.135 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.481 ' HB2' ' O ' ' A' ' 54' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.273 -0.892 . . . . 0.0 110.182 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.157 0.503 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.06 -46.99 84.88 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.189 -0.944 . . . . 0.0 109.988 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.487 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -66.84 -38.89 87.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 0.0 109.862 179.797 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.2 ttp -63.03 -51.39 66.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.288 -0.882 . . . . 0.0 109.595 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.21 -42.42 86.19 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.429 -0.795 . . . . 0.0 109.232 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -54.52 -40.98 69.14 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.459 -0.776 . . . . 0.0 109.866 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.523 ' HA ' ' HG2' ' A' ' 25' ' ' LYS . 5.7 mt -65.46 -58.57 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.899 . . . . 0.0 109.894 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 22' ' ' ILE . 5.6 m-20 -43.77 -34.57 1.59 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.183 -0.948 . . . . 0.0 109.774 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.517 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -72.53 -40.48 66.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.386 -0.822 . . . . 0.0 109.98 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HG2' ' HA ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -64.99 -21.75 66.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.926 . . . . 0.0 109.862 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.511 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 26.3 tttm -83.19 -64.99 1.06 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.371 -0.831 . . . . 0.0 109.806 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.435 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -45.3 -38.88 6.04 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.274 -0.891 . . . . 0.0 109.91 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.443 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -73.58 -47.11 42.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.346 -0.846 . . . . 0.0 110.146 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -49.17 -54.07 18.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.193 -0.942 . . . . 0.0 110.001 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -70.78 -27.81 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.272 -0.893 . . . . 0.0 110.013 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CE1' HG21 ' A' ' 35' ' ' VAL . 8.4 t80 -65.62 -44.68 85.75 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.325 -0.859 . . . . 0.0 110.172 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 4.2 t80 -75.89 -32.64 59.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.234 -0.916 . . . . 0.0 110.606 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -75.65 -45.79 35.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.161 -0.962 . . . . 0.0 110.504 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.1 t -67.74 -48.63 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.103 -0.998 . . . . 0.0 110.023 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.573 HG21 ' CE1' ' A' ' 31' ' ' PHE . 24.2 t -64.79 -32.64 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.262 -0.899 . . . . 0.0 110.01 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 32' ' ' TYR . 5.0 m-20 -65.52 -42.39 92.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.162 -0.961 . . . . 0.0 109.537 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.536 ' CE1' HD11 ' A' ' 41' ' ' ILE . 8.1 t80 -61.99 -48.05 82.06 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.272 -0.893 . . . . 0.0 109.567 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.3 t -59.01 -39.83 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.286 -0.884 . . . . 0.0 109.857 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -60.07 -39.7 86.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.236 -0.915 . . . . 0.0 109.803 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.79 -39.83 94.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.455 -0.778 . . . . 0.0 109.882 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.536 HD11 ' CE1' ' A' ' 37' ' ' TYR . 20.8 mm -58.67 -57.58 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.203 -0.935 . . . . 0.0 109.232 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.486 ' HA ' ' CG ' ' A' ' 45' ' ' MET . 4.9 mt -46.64 -59.86 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.474 -0.766 . . . . 0.0 109.176 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 42' ' ' ILE . 4.6 tt0 -40.99 -40.19 1.36 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.642 -0.661 . . . . 0.0 109.699 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.494 ' HA ' HD23 ' A' ' 44' ' ' LEU . 5.3 mt -75.48 -35.22 60.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.321 -0.862 . . . . 0.0 109.796 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 25.0 mtp -47.72 -46.82 30.05 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.423 -0.798 . . . . 0.0 110.192 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.334 -0.854 . . . . 0.0 110.212 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.217 0.532 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -51.03 -34.07 27.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.277 -0.889 . . . . 0.0 110.199 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 57' ' ' PHE . 50.8 t-20 -71.66 -25.35 62.09 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.27 -0.894 . . . . 0.0 109.663 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -43.31 55.41 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.316 -0.865 . . . . 0.0 109.699 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.25 81.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.317 -0.864 . . . . 0.0 109.97 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.27 -22.56 32.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.276 -0.89 . . . . 0.0 110.114 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 53' ' ' ASN . 47.4 t80 -96.81 -3.9 41.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.136 -0.978 . . . . 0.0 110.472 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.7 t80 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.08 -1.012 . . . . 0.0 110.645 -179.701 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 20' ' ' MET . 3.0 m . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.096 0.474 . . . . 0.0 110.102 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -43.03 86.7 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.138 -0.976 . . . . 0.0 109.654 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.479 ' O ' HD13 ' A' ' 22' ' ' ILE . 14.5 tpt180 -69.86 -42.58 73.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.325 -0.859 . . . . 0.0 109.734 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.0 ttt -61.92 -49.93 74.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.302 -0.874 . . . . 0.0 109.585 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 16' ' ' THR . 0.7 OUTLIER -57.28 -39.6 76.01 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.42 -0.8 . . . . 0.0 109.272 179.506 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 17.6 tpp180 -56.65 -46.6 80.97 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.461 -0.774 . . . . 0.0 110.072 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.569 ' CD1' ' N ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -68.87 -50.84 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.273 -0.892 . . . . 0.0 109.79 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.474 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 9.4 m-80 -56.31 -26.75 53.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 0.0 110.038 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.483 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -75.82 -45.92 33.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.899 . . . . 0.0 110.035 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -57.89 -40.19 79.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 0.0 110.154 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 12.4 mmtt -72.24 -64.51 0.93 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.224 -0.922 . . . . 0.0 110.207 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.584 ' HA ' ' CE3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -42.3 -48.74 5.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.24 -0.913 . . . . 0.0 110.396 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.483 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -63.36 -40.63 97.8 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.207 -0.933 . . . . 0.0 110.186 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -53.41 -59.24 4.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.11 -0.994 . . . . 0.0 109.814 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 34' ' ' VAL . 17.5 t -59.87 -28.07 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.323 -0.861 . . . . 0.0 109.79 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.881 ' O ' HG23 ' A' ' 35' ' ' VAL . 11.1 t80 -68.44 -51.43 43.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.408 -0.808 . . . . 0.0 109.973 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -57.16 -42.9 81.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.251 -0.905 . . . . 0.0 110.096 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.4 m -69.92 -44.1 70.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.258 -0.901 . . . . 0.0 110.225 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 30' ' ' VAL . 54.4 t -61.99 -51.55 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 110.133 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 31' ' ' PHE . 18.8 t -56.97 -40.04 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.209 -0.932 . . . . 0.0 109.981 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -59.08 -48.12 82.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.27 -0.893 . . . . 0.0 109.797 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.716 ' CE1' HD11 ' A' ' 41' ' ' ILE . 14.3 t80 -55.41 -44.96 76.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.907 . . . . 0.0 109.719 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -55.74 -45.67 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.293 -0.879 . . . . 0.0 109.935 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -41.79 79.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.241 -0.912 . . . . 0.0 109.743 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 90.3 mm-40 -60.2 -38.37 83.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.456 -0.777 . . . . 0.0 109.878 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.716 HD11 ' CE1' ' A' ' 37' ' ' TYR . 21.3 mm -62.38 -55.5 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.287 -0.883 . . . . 0.0 109.723 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.0 mt -48.91 -65.82 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.299 -0.876 . . . . 0.0 109.504 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -46.5 -32.33 3.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.526 -0.734 . . . . 0.0 110.097 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.48 ' HA ' HD23 ' A' ' 44' ' ' LEU . 1.3 mt -74.55 -29.18 61.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.202 -0.936 . . . . 0.0 110.151 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.5 tpt -68.77 -48.23 64.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.247 -0.908 . . . . 0.0 110.078 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.883 . . . . 0.0 110.331 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.503 ' OG ' ' N ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.248 0.546 . . . . 0.0 110.258 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.514 ' CD1' ' N ' ' A' ' 52' ' ' LEU . 5.8 mp -45.48 -28.63 0.94 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.213 -0.93 . . . . 0.0 109.929 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -58.6 -66.26 0.52 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.297 -0.877 . . . . 0.0 109.84 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -38.47 53.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.335 -0.853 . . . . 0.0 109.845 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.16 95.59 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.282 -0.886 . . . . 0.0 109.969 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.78 -21.75 51.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.284 -0.885 . . . . 0.0 110.085 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.52 -7.2 44.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.22 -0.925 . . . . 0.0 110.38 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.6 t80 . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.174 -0.954 . . . . 0.0 110.584 -179.78 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.402 ' O ' ' HE2' ' A' ' 20' ' ' MET . 3.0 m . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.176 0.512 . . . . 0.0 110.113 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' OE2' ' HE1' ' A' ' 20' ' ' MET . 0.3 OUTLIER -60.29 -49.05 79.14 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 121.103 -0.998 . . . . 0.0 109.975 179.757 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 ttm-85 -69.82 -39.59 76.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.365 -0.834 . . . . 0.0 110.001 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 tpp -60.31 -40.32 90.11 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.288 -0.883 . . . . 0.0 110.029 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.471 ' HE1' ' OE2' ' A' ' 17' ' ' GLU . 5.0 mtm -66.16 -50.18 64.83 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.19 -0.944 . . . . 0.0 109.461 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -58.17 -29.35 65.54 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.418 -0.801 . . . . 0.0 110.068 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.1 mm -79.12 -37.76 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 110.199 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -64.12 -33.99 77.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.177 -0.952 . . . . 0.0 110.143 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.522 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -79.16 -49.92 11.81 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.194 -0.941 . . . . 0.0 110.035 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 18.0 tttt -62.74 -32.06 73.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.333 -0.854 . . . . 0.0 110.129 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' TRP . 8.6 tttp -77.62 -61.27 2.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.862 . . . . 0.0 110.109 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.468 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 8.0 t-105 -42.24 -49.06 5.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.42 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -70.09 -44.82 68.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.161 -0.962 . . . . 0.0 110.264 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -54.14 -59.73 4.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.201 -0.937 . . . . 0.0 109.976 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.766 ' O ' HG23 ' A' ' 34' ' ' VAL . 93.5 t -62.24 -27.02 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.225 -0.922 . . . . 0.0 109.798 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.787 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.3 t80 -67.78 -52.18 40.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.39 -0.819 . . . . 0.0 109.981 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -40.47 90.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.237 -0.914 . . . . 0.0 110.223 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -43.14 70.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.279 -0.888 . . . . 0.0 110.221 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 30' ' ' VAL . 50.2 t -60.09 -52.27 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.253 -0.905 . . . . 0.0 110.184 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 31' ' ' PHE . 9.7 t -60.65 -43.84 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 110.046 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 50.3 m-20 -62.16 -39.5 92.86 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.192 -0.943 . . . . 0.0 109.805 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.882 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 15.9 t80 -60.51 -40.51 91.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.33 -0.856 . . . . 0.0 109.857 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 34' ' ' VAL . 48.2 t -67.93 -48.68 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.253 -0.904 . . . . 0.0 109.886 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -57.11 -26.42 60.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.15 -0.968 . . . . 0.0 109.559 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.487 ' O ' HD23 ' A' ' 44' ' ' LEU . 26.0 mm100 -73.12 -57.48 3.99 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.383 -0.823 . . . . 0.0 109.939 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.882 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 60.6 mt -61.98 -30.88 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.196 -0.94 . . . . 0.0 109.526 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.34 -55.31 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.475 -0.766 . . . . 0.0 109.647 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -54.53 -42.95 71.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.293 -0.879 . . . . 0.0 109.629 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 3.1 mm? -62.98 -46.08 89.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.345 -0.847 . . . . 0.0 110.289 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -58.8 6.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.287 -0.883 . . . . 0.0 110.238 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 m . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 110.183 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.303 0.573 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 52' ' ' LEU . 49.5 mt -60.19 -27.58 67.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.214 -0.929 . . . . 0.0 110.066 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -78.43 -25.53 46.02 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.242 -0.911 . . . . 0.0 109.601 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 58' ' ' TYR . 46.2 t -76.2 -36.5 58.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.311 -0.868 . . . . 0.0 109.656 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.06 -39.33 55.72 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.29 -0.881 . . . . 0.0 109.921 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.83 -40.77 88.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.0 110.026 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -77.81 -24.7 48.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.863 . . . . 0.0 110.119 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 54' ' ' SER . 28.4 t80 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 110.192 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.55 ' CG2' ' N ' ' A' ' 17' ' ' GLU . 2.9 t . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.275 0.559 . . . . 0.0 110.12 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.55 ' N ' ' CG2' ' A' ' 16' ' ' THR . 0.8 OUTLIER -52.82 -44.97 67.05 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.243 -0.91 . . . . 0.0 110.267 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -69.56 -40.96 76.48 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.299 -0.876 . . . . 0.0 110.035 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -44.15 97.4 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.231 -0.918 . . . . 0.0 109.859 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 16' ' ' THR . 5.3 mtt -61.32 -44.25 97.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.24 -0.912 . . . . 0.0 109.427 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -55.16 -41.57 72.01 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.376 -0.827 . . . . 0.0 110.04 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' A' ' 22' ' ' ILE . 15.9 mm -64.54 -52.53 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.24 -0.912 . . . . 0.0 110.11 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.475 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 14.1 m-80 -58.9 -20.1 48.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.925 . . . . 0.0 110.051 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -78.08 -47.63 17.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.297 -0.877 . . . . 0.0 110.138 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -42.02 99.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.249 -0.907 . . . . 0.0 110.069 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' TRP . 3.6 tptm -68.32 -61.21 1.94 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.269 -0.895 . . . . 0.0 110.002 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.475 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 8.5 t90 -42.63 -40.84 2.87 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.299 -0.876 . . . . 0.0 110.141 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.465 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -65.47 -46.41 79.92 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.323 -0.861 . . . . 0.0 110.092 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.25 -61.76 2.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 109.747 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 34' ' ' VAL . 15.9 t -59.2 -27.73 37.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.335 -0.853 . . . . 0.0 109.736 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.009 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.8 t80 -67.01 -52.77 38.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.384 -0.822 . . . . 0.0 109.872 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -56.24 -43.46 78.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.164 -0.96 . . . . 0.0 109.992 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 66.5 m -67.77 -44.55 77.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.29 -0.881 . . . . 0.0 110.119 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 30' ' ' VAL . 54.5 t -61.77 -46.28 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.241 -0.912 . . . . 0.0 110.072 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.009 HG23 ' O ' ' A' ' 31' ' ' PHE . 20.8 t -56.92 -44.6 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.205 -0.934 . . . . 0.0 109.857 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.27 -51.3 68.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.0 109.789 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.682 ' CE1' HD11 ' A' ' 41' ' ' ILE . 10.7 t80 -55.35 -44.86 76.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.912 . . . . 0.0 109.578 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' O ' HG12 ' A' ' 42' ' ' ILE . 66.3 t -56.66 -45.08 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.338 -0.851 . . . . 0.0 109.863 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -55.95 -42.62 76.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.23 -0.919 . . . . 0.0 109.668 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -60.1 -39.41 86.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.471 -0.768 . . . . 0.0 109.726 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.682 HD11 ' CE1' ' A' ' 37' ' ' TYR . 20.9 mm -62.07 -40.14 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.328 -0.857 . . . . 0.0 109.87 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 38' ' ' VAL . 22.8 mm -61.51 -47.14 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.362 -0.836 . . . . 0.0 109.958 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -59.81 -36.13 76.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.296 -0.878 . . . . 0.0 110.166 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 44' ' ' LEU . 6.4 mt -74.0 -43.36 58.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.222 -0.924 . . . . 0.0 110.23 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -49.01 -43.89 40.76 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.225 -0.922 . . . . 0.0 110.15 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' MET . 13.1 t . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.288 -0.882 . . . . 0.0 110.19 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.272 0.558 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.1 mt -54.88 -28.43 50.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.929 . . . . 0.0 110.21 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -78.69 -25.97 44.87 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.175 -0.953 . . . . 0.0 109.64 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 58' ' ' TYR . 20.1 t -75.75 -32.58 60.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.325 -0.859 . . . . 0.0 109.676 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.96 -42.31 27.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.331 -0.856 . . . . 0.0 109.955 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.27 -36.8 83.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 0.0 110.07 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -83.68 -23.75 31.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 0.0 110.151 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.489 ' CB ' ' O ' ' A' ' 54' ' ' SER . 68.7 t80 . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.889 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.51 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 14.1 t . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.252 0.548 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.51 ' N ' ' OG ' ' A' ' 1' ' ' SER . 0.3 OUTLIER 172.28 144.29 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.255 -0.903 . . . . 0.0 110.228 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.476 HG12 ' O ' ' A' ' 3' ' ' VAL . 94.4 t -88.98 -1.9 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.242 -0.911 . . . . 0.0 110.22 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 22.6 tp -101.14 59.13 0.89 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.204 -0.935 . . . . 0.0 110.197 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.513 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 2.4 p30 173.15 -58.79 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.247 -0.908 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.464 ' O ' ' HB ' ' A' ' 7' ' ' THR . 3.2 pt -47.76 92.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.199 -0.938 . . . . 0.0 110.187 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 5' ' ' ASP . 86.7 m 57.1 61.35 2.6 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.249 -0.907 . . . . 0.0 110.229 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.481 ' C ' ' CD ' ' A' ' 10' ' ' PRO . . . -60.24 -141.65 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.187 -0.946 . . . . 0.0 110.199 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.575 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 4.6 p-10 -119.3 46.85 0.85 Allowed Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 0.0 110.516 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 9' ' ' ASP . 45.7 Cg_endo -71.47 -54.17 0.16 Allowed 'Trans proline' 0 C--N 1.306 -1.705 0 O-C-N 123.847 1.446 . . . . 0.0 110.422 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.07 16.86 0.66 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.235 -0.916 . . . . 0.0 110.172 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 12' ' ' THR . 4.5 m -79.74 1.04 28.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.0 110.219 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 12' ' ' THR . . . 43.29 60.91 10.48 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.238 -0.914 . . . . 0.0 110.273 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.477 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 46.0 Cg_endo -71.09 -53.79 0.18 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 O-C-N 123.973 1.512 . . . . 0.0 110.169 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -48.58 -48.16 39.11 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.242 -0.911 . . . . 0.0 110.14 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -64.42 -28.29 69.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.241 -0.912 . . . . 0.0 110.027 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -60.71 -47.07 87.94 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.14 -0.975 . . . . 0.0 110.026 179.801 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 ttm-85 -69.02 -43.16 75.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.366 -0.834 . . . . 0.0 109.964 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -43.28 95.97 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.238 -0.914 . . . . 0.0 109.938 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -44.22 97.61 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.221 -0.924 . . . . 0.0 109.308 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.526 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 2.0 ttt85 -54.17 -43.65 70.82 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.421 -0.799 . . . . 0.0 109.958 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.503 ' HA ' ' HG3' ' A' ' 25' ' ' LYS . 40.0 mm -65.4 -35.65 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.287 -0.883 . . . . 0.0 110.077 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -62.85 -42.49 99.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.277 -0.889 . . . . 0.0 110.156 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.46 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 1.4 t90 -68.21 -35.5 78.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 109.764 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 21' ' ' ARG . 1.4 mmtm -59.41 -53.63 56.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.363 -0.836 . . . . 0.0 110.117 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' TRP . 2.5 mmtp -65.3 -58.18 6.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.268 -0.895 . . . . 0.0 110.05 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.479 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 6.2 t-105 -42.33 -39.35 2.11 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.327 -0.858 . . . . 0.0 110.244 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.46 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -69.66 -43.63 72.16 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.247 -0.908 . . . . 0.0 110.057 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.82 -61.65 2.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.229 -0.92 . . . . 0.0 109.785 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.757 ' O ' HG23 ' A' ' 34' ' ' VAL . 63.5 t -59.06 -27.77 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.892 . . . . 0.0 109.693 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.995 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.7 t80 -67.52 -52.28 40.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.374 -0.829 . . . . 0.0 109.827 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -56.31 -43.3 78.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.238 -0.914 . . . . 0.0 110.02 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -43.12 76.58 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.236 -0.915 . . . . 0.0 110.154 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 30' ' ' VAL . 53.8 t -62.5 -46.6 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.223 -0.923 . . . . 0.0 110.101 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.995 HG23 ' O ' ' A' ' 31' ' ' PHE . 16.4 t -58.8 -43.71 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 109.919 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -56.48 -47.66 78.77 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.229 -0.92 . . . . 0.0 109.803 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.566 ' CE1' HD11 ' A' ' 41' ' ' ILE . 18.6 t80 -54.88 -46.62 74.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.257 -0.902 . . . . 0.0 109.775 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.3 t -55.67 -46.54 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.256 -0.902 . . . . 0.0 109.912 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -54.06 -43.92 70.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.27 -0.894 . . . . 0.0 109.661 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -59.13 -39.69 83.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.52 -0.738 . . . . 0.0 109.785 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.566 HD11 ' CE1' ' A' ' 37' ' ' TYR . 18.6 mm -63.56 -56.39 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 0.0 109.674 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 45' ' ' MET . 7.2 mt -46.2 -67.42 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.325 -0.859 . . . . 0.0 109.408 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.471 ' O ' ' HB3' ' A' ' 47' ' ' LYS . 5.7 tt0 -44.16 -37.54 3.2 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.423 -0.798 . . . . 0.0 109.796 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.798 HD23 ' HD2' ' A' ' 47' ' ' LYS . 1.4 mt -68.53 -29.85 68.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.347 -0.846 . . . . 0.0 110.021 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' ILE . 1.2 ttt -83.88 -33.57 24.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.861 . . . . 0.0 110.207 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.4 t -87.94 -10.03 51.8 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.304 -0.873 . . . . 0.0 110.462 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.798 ' HD2' HD23 ' A' ' 44' ' ' LEU . 4.2 ptmt -59.67 -13.93 11.82 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.144 -0.972 . . . . 0.0 110.271 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.525 ' CD ' ' O ' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -86.95 37.78 0.78 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.294 -0.879 . . . . 0.0 110.22 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 p -85.93 -48.7 8.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.253 -0.904 . . . . 0.0 110.204 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.495 ' HG2' ' CB ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -140.01 40.49 1.96 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.247 -0.908 . . . . 0.0 110.228 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 79.6 p -61.13 -56.38 21.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.276 -0.89 . . . . 0.0 110.192 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.5 tp -55.22 -28.74 55.31 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.21 -0.931 . . . . 0.0 110.188 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.495 ' CB ' ' HG2' ' A' ' 50' ' ' ARG . 22.9 t-20 -78.18 -25.71 47.31 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.28 -0.887 . . . . 0.0 109.595 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 58' ' ' TYR . 8.1 t -75.3 -35.21 61.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.331 -0.855 . . . . 0.0 109.73 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -77.38 -40.87 42.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.332 -0.855 . . . . 0.0 109.972 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 60' ' ' ARG . . . -65.95 -38.44 88.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.284 -0.885 . . . . 0.0 110.097 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.483 ' HA ' ' HG3' ' A' ' 60' ' ' ARG . 6.4 m-85 -84.03 -20.62 32.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.237 -0.914 . . . . 0.0 110.177 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.491 ' CB ' ' O ' ' A' ' 54' ' ' SER . 49.2 t80 -94.4 -7.74 40.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.19 -0.944 . . . . 0.0 110.291 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.576 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 33.6 t80 -113.73 10.64 17.93 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.272 -0.892 . . . . 0.0 110.195 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -69.69 -5.52 25.51 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.097 -1.002 . . . . 0.0 110.232 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.45 ' OXT' ' O ' ' A' ' 60' ' ' ARG . 2.4 t . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 117.999 -1.0 . . . . 0.0 109.843 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.197 0.522 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.489 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 4.2 t70 -141.75 -159.66 0.99 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.235 -0.916 . . . . 0.0 109.803 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 3.4 t 65.86 7.44 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.303 -0.873 . . . . 0.0 110.4 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.85 HD12 ' O ' ' A' ' 4' ' ' LEU . 1.6 pp -94.34 59.05 2.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.184 -0.948 . . . . 0.0 110.237 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.669 ' OD2' HG23 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -163.39 -58.79 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.253 -0.904 . . . . 0.0 110.349 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.669 HG23 ' OD2' ' A' ' 5' ' ' ASP . 17.4 pt -69.29 -177.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.102 -0.999 . . . . 0.0 109.846 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 7' ' ' THR . 76.9 m 41.52 26.35 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.454 -0.779 . . . . 0.0 110.426 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.464 ' O ' ' OD1' ' A' ' 9' ' ' ASP . . . -146.92 -153.39 0.49 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.112 -0.992 . . . . 0.0 110.218 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.472 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 3.7 p-10 37.37 53.07 2.85 Favored Pre-proline 0 N--CA 1.493 1.718 0 O-C-N 121.584 -0.698 . . . . 0.0 110.799 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 9' ' ' ASP . 46.0 Cg_endo -73.53 -27.2 13.26 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 O-C-N 124.003 1.528 . . . . 0.0 110.381 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.78 25.77 0.33 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.245 -0.91 . . . . 0.0 110.194 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 12' ' ' THR . 4.7 m -87.46 1.13 54.34 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 0.0 110.228 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 12' ' ' THR . . . 42.32 59.64 10.09 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.27 -0.894 . . . . 0.0 110.344 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.449 ' HG3' ' HB2' ' A' ' 9' ' ' ASP . 46.7 Cg_endo -71.47 -45.17 0.86 Allowed 'Trans proline' 0 C--N 1.305 -1.726 0 O-C-N 123.932 1.491 . . . . 0.0 110.196 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.82 -58.47 4.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.267 -0.896 . . . . 0.0 110.23 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -65.08 -27.82 69.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.255 -0.903 . . . . 0.0 110.076 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CA ' ' OE1' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -60.64 -46.51 90.03 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.168 -0.958 . . . . 0.0 110.059 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.08 -42.81 68.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.336 -0.853 . . . . 0.0 110.099 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -38.87 89.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.242 -0.911 . . . . 0.0 110.059 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.2 mmt -65.14 -48.68 72.73 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.187 -0.946 . . . . 0.0 109.497 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.3 ttm-85 -55.83 -33.93 64.93 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.39 -0.818 . . . . 0.0 110.036 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 22' ' ' ILE . 16.1 mm -72.83 -36.53 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 0.0 110.226 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -68.09 -29.16 68.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.0 110.187 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.525 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -77.82 -47.43 18.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.239 -0.913 . . . . 0.0 110.125 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -58.97 -40.48 84.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.279 -0.888 . . . . 0.0 110.141 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' TRP . 1.2 tttt -73.67 -53.01 11.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 0.0 110.095 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' LYS . 45.0 t-105 -42.11 -51.64 4.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.277 -0.89 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.461 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -68.06 -43.11 79.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.237 -0.914 . . . . 0.0 110.181 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -55.18 -60.48 3.32 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.234 -0.916 . . . . 0.0 109.922 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.796 ' O ' HG23 ' A' ' 34' ' ' VAL . 92.8 t -59.58 -27.52 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.314 -0.866 . . . . 0.0 109.732 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.893 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.4 t80 -67.67 -52.33 39.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.366 -0.834 . . . . 0.0 109.955 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -57.46 -42.37 82.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.171 -0.956 . . . . 0.0 110.14 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 m -69.63 -42.68 74.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.294 -0.879 . . . . 0.0 110.205 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 30' ' ' VAL . 49.5 t -59.91 -48.87 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.22 -0.925 . . . . 0.0 110.176 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 31' ' ' PHE . 11.1 t -59.15 -46.6 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.205 -0.934 . . . . 0.0 109.978 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.94 -43.44 81.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.223 -0.923 . . . . 0.0 109.814 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.572 ' CE1' HD11 ' A' ' 41' ' ' ILE . 18.8 t80 -56.88 -45.51 82.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.305 -0.872 . . . . 0.0 109.807 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.94 -46.73 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.875 . . . . 0.0 109.941 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -54.95 -42.21 72.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.216 -0.927 . . . . 0.0 109.764 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -60.21 -40.71 91.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.411 -0.806 . . . . 0.0 109.892 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.572 HD11 ' CE1' ' A' ' 37' ' ' TYR . 18.5 mm -60.67 -53.21 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.884 . . . . 0.0 109.749 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.3 mt -50.1 -65.96 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.303 -0.873 . . . . 0.0 109.555 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -46.75 -29.47 1.93 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.54 -0.725 . . . . 0.0 110.149 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 44' ' ' LEU . 1.5 mt -78.09 -30.27 49.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.184 -0.947 . . . . 0.0 110.231 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -54.03 39.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.247 -0.908 . . . . 0.0 110.195 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.74 -18.04 4.19 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.206 -0.934 . . . . 0.0 110.142 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.34 7.67 27.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.244 -0.91 . . . . 0.0 110.141 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 48' ' ' ARG . 4.4 ttt-85 -138.3 6.86 2.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.212 -0.93 . . . . 0.0 110.027 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 60.8 p -83.15 12.52 5.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.222 -0.924 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.536 ' HG2' ' CB ' ' A' ' 53' ' ' ASN . 0.1 OUTLIER 66.53 63.39 0.52 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.211 -0.931 . . . . 0.0 110.206 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -61.24 -63.28 1.34 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.238 -0.914 . . . . 0.0 110.232 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.44 -27.4 47.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.208 -0.932 . . . . 0.0 110.194 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.536 ' CB ' ' HG2' ' A' ' 50' ' ' ARG . 15.6 t30 -78.7 -25.36 44.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.185 -0.947 . . . . 0.0 109.689 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 58' ' ' TYR . 12.4 t -76.65 -35.66 57.86 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.281 -0.887 . . . . 0.0 109.69 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.487 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -77.25 -39.01 49.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.835 . . . . 0.0 109.993 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.53 -42.61 82.45 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.238 -0.914 . . . . 0.0 110.052 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.507 ' HA ' ' HG2' ' A' ' 60' ' ' ARG . 28.7 t80 -76.79 -25.58 53.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.337 -0.852 . . . . 0.0 110.113 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.481 ' HB3' ' O ' ' A' ' 54' ' ' SER . 36.2 t80 -87.72 -12.65 44.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.201 -0.937 . . . . 0.0 110.188 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.587 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 38.1 t80 -115.07 10.96 16.29 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.291 -0.881 . . . . 0.0 110.258 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.846 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -87.34 140.22 29.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 0.0 110.176 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 60' ' ' ARG . 2.4 t . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.076 -1.015 . . . . 0.0 109.856 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.292 0.568 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.795 ' O ' HG23 ' A' ' 3' ' ' VAL . 10.9 m-20 -150.54 98.61 2.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.233 -0.917 . . . . 0.0 110.203 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 2' ' ' ASP . 8.3 t -160.93 -58.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.298 -0.876 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.467 ' O ' HG12 ' A' ' 6' ' ' ILE . 35.9 mt -44.46 -25.3 0.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.116 -0.99 . . . . 0.0 110.307 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.52 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 0.7 OUTLIER -48.81 -58.38 4.89 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.238 -0.914 . . . . 0.0 110.371 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.533 HG23 ' O ' ' A' ' 3' ' ' VAL . 15.8 pt 38.89 29.77 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.434 -0.791 . . . . 0.0 110.62 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' ASP . 6.9 m -116.72 -23.69 8.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.251 -0.906 . . . . 0.0 110.233 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 9' ' ' ASP . . . -76.8 -174.66 3.13 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.273 -0.892 . . . . 0.0 110.212 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 8' ' ' ALA . 5.2 p-10 37.03 70.46 1.13 Allowed Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.6 -0.688 . . . . 0.0 110.843 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.524 ' O ' HG23 ' A' ' 12' ' ' THR . 45.2 Cg_endo -72.72 -15.76 26.86 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 O-C-N 123.914 1.481 . . . . 0.0 110.436 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 11' ' ' THR . 87.8 m 58.13 46.88 15.39 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.335 -0.853 . . . . 0.0 110.179 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 10' ' ' PRO . 72.6 p -130.7 -1.31 4.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.229 -0.919 . . . . 0.0 110.045 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.923 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . . . -65.21 -57.14 16.15 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.247 -0.908 . . . . 0.0 110.241 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.923 ' HD3' ' HB3' ' A' ' 13' ' ' ALA . 47.4 Cg_endo -72.95 -3.51 13.74 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 O-C-N 123.949 1.499 . . . . 0.0 110.172 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.472 ' HB2' ' HA ' ' A' ' 12' ' ' THR . 0.8 OUTLIER -78.75 -53.07 7.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.918 . . . . 0.0 110.112 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 20' ' ' MET . 3.1 m -63.1 -27.75 69.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.229 -0.919 . . . . 0.0 110.029 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -41.72 98.79 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.174 -0.954 . . . . 0.0 109.828 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -43.26 62.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.278 -0.889 . . . . 0.0 109.873 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -43.17 99.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 109.943 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.468 ' HB2' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -62.73 -44.03 97.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.913 . . . . 0.0 109.437 179.5 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -56.2 -39.13 71.95 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.345 -0.847 . . . . 0.0 110.004 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.7 mm -66.32 -55.42 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 110.164 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 3.2 m-20 -57.84 -27.2 62.98 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 0.0 110.157 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.411 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -73.65 -40.71 63.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.265 -0.897 . . . . 0.0 110.132 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 1.8 ttpm? -64.97 -40.98 95.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.252 -0.905 . . . . 0.0 110.089 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' TRP . 22.5 tptt -69.65 -62.75 1.26 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.27 -0.894 . . . . 0.0 110.083 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.459 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -42.38 -54.51 3.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.322 -0.861 . . . . 0.0 110.184 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.435 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -60.01 -35.47 75.12 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 110.053 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 1.4 tm0? -55.92 -61.54 2.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.21 -0.931 . . . . 0.0 109.831 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -58.32 -27.74 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.316 -0.865 . . . . 0.0 109.739 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.799 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.0 t80 -68.7 -51.22 43.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -0.826 . . . . 0.0 109.938 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.15 -41.19 78.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 110.106 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -65.3 -60.71 2.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.229 -0.919 . . . . 0.0 110.187 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.1 t -53.35 -53.54 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.248 -0.908 . . . . 0.0 110.186 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 31' ' ' PHE . 38.9 t -55.5 -38.71 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.892 . . . . 0.0 110.039 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 33' ' ' THR . 13.6 m-20 -59.33 -49.0 79.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.219 -0.925 . . . . 0.0 109.821 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.565 ' CE1' HD11 ' A' ' 41' ' ' ILE . 16.9 t80 -55.16 -44.86 75.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.244 -0.91 . . . . 0.0 109.711 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.1 t -56.77 -46.59 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.308 -0.87 . . . . 0.0 109.897 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -56.53 -42.56 78.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -0.913 . . . . 0.0 109.697 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.485 ' O ' HD23 ' A' ' 44' ' ' LEU . 4.6 tt0 -57.62 -41.12 80.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.446 -0.784 . . . . 0.0 109.613 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 37' ' ' TYR . 18.2 mm -60.41 -47.57 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 0.0 109.678 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.5 mm -52.16 -50.07 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.289 -0.882 . . . . 0.0 109.705 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 7.4 tt0 -53.35 -50.0 65.95 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.265 -0.897 . . . . 0.0 109.701 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.541 ' HA ' ' CD ' ' A' ' 47' ' ' LYS . 3.0 mm? -53.91 -44.31 70.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.367 -0.833 . . . . 0.0 110.197 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.93 -53.84 29.38 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.874 . . . . 0.0 110.199 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.8 m -53.23 -21.87 5.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.228 -0.92 . . . . 0.0 110.217 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.541 ' CD ' ' HA ' ' A' ' 44' ' ' LEU . 2.1 mtpt -88.21 167.44 13.59 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.246 -0.909 . . . . 0.0 110.035 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.58 84.31 0.1 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.248 -0.907 . . . . 0.0 109.938 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 82.9 p -88.04 35.0 0.73 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.297 -0.877 . . . . 0.0 110.104 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.473 ' HA ' ' CG ' ' A' ' 53' ' ' ASN . 13.2 ttt180 -123.19 4.03 9.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.232 -0.917 . . . . 0.0 110.113 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 53' ' ' ASN . 78.9 p -56.28 -82.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.193 -0.942 . . . . 0.0 110.223 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' SER . 6.2 mt -43.31 -26.63 0.19 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 0.0 110.069 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 2.0 m120 -64.93 -60.02 3.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.33 -0.856 . . . . 0.0 109.845 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 t -55.2 -32.82 62.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.358 -0.839 . . . . 0.0 109.86 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.46 -42.79 82.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.259 -0.9 . . . . 0.0 110.041 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.78 96.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.233 -0.917 . . . . 0.0 110.085 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 57' ' ' PHE . 11.0 t80 -69.84 -25.29 63.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.273 -0.892 . . . . 0.0 110.13 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -88.68 -11.01 46.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.27 -0.893 . . . . 0.0 110.193 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 27.5 t80 -125.14 20.13 8.23 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.214 -0.928 . . . . 0.0 110.156 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -158.0 164.9 36.31 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.25 -0.906 . . . . 0.0 110.171 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.825 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.27 0.557 . . . . 0.0 110.181 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.495 ' C ' HG23 ' A' ' 3' ' ' VAL . 8.7 t0 -142.1 -159.71 1.0 Allowed 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.223 -0.923 . . . . 0.0 109.831 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.495 HG23 ' C ' ' A' ' 2' ' ' ASP . 3.4 t 65.84 7.53 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.371 -0.831 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.899 HD12 ' N ' ' A' ' 5' ' ' ASP . 4.7 pp -57.24 -32.45 66.56 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.215 -0.928 . . . . 0.0 110.179 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.899 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -61.95 -32.94 73.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.898 . . . . 0.0 110.179 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.535 ' CG1' ' O ' ' A' ' 5' ' ' ASP . 20.7 pt 38.43 29.01 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.538 -0.726 . . . . 0.0 110.582 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 7' ' ' THR . 99.0 m 52.95 19.73 1.44 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.292 -0.88 . . . . 0.0 110.144 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.491 ' O ' ' HD3' ' A' ' 10' ' ' PRO . . . 47.8 -175.59 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.303 -0.873 . . . . 0.0 110.231 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 9' ' ' ASP . 11.0 p-10 -107.37 75.16 0.45 Allowed Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.239 -0.913 . . . . 0.0 110.356 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 8' ' ' ALA . 45.4 Cg_endo -72.2 -2.48 11.7 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 O-C-N 123.886 1.466 . . . . 0.0 110.397 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.53 ' C ' HG23 ' A' ' 12' ' ' THR . 10.8 m -103.25 3.76 35.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.265 -0.897 . . . . 0.0 110.184 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.53 HG23 ' C ' ' A' ' 11' ' ' THR . 22.6 p -153.05 26.59 0.54 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.239 -0.913 . . . . 0.0 110.115 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.941 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . . . -59.82 -58.12 21.77 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.267 -0.895 . . . . 0.0 110.235 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.941 ' HD3' ' HB3' ' A' ' 13' ' ' ALA . 47.3 Cg_endo -73.23 -15.56 25.41 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 O-C-N 124.023 1.538 . . . . 0.0 110.17 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.426 ' HB2' ' HA ' ' A' ' 12' ' ' THR . 3.4 tm0? -68.3 -49.57 59.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.28 -0.888 . . . . 0.0 110.207 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -62.04 -28.11 69.36 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.902 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -46.8 82.92 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.171 -0.955 . . . . 0.0 110.055 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' O ' HG12 ' A' ' 22' ' ' ILE . 22.8 ttt-85 -67.65 -35.82 79.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.307 -0.871 . . . . 0.0 109.957 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.9 ttt -63.49 -51.38 65.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.864 . . . . 0.0 109.763 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.6 mmt -57.64 -40.28 78.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.412 -0.805 . . . . 0.0 109.483 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -57.57 -42.48 83.17 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.487 -0.758 . . . . 0.0 110.087 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 18' ' ' ARG . 36.0 mm -69.65 -44.82 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.313 -0.867 . . . . 0.0 110.143 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.467 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 8.1 m-20 -58.95 -29.19 66.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.25 -0.906 . . . . 0.0 110.179 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -76.73 -46.06 26.87 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.246 -0.909 . . . . 0.0 110.162 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -61.02 -40.7 94.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.233 -0.917 . . . . 0.0 110.12 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -68.78 -59.97 2.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.286 -0.884 . . . . 0.0 110.136 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.467 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -42.25 -44.5 3.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.256 -0.903 . . . . 0.0 110.253 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -38.56 83.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.257 -0.902 . . . . 0.0 110.089 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 26' ' ' LYS . 6.4 mt-30 -57.55 -63.08 1.36 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.195 -0.94 . . . . 0.0 109.856 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.763 ' O ' HG23 ' A' ' 34' ' ' VAL . 21.2 t -57.44 -29.42 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 0.0 109.718 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.977 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.9 t80 -66.78 -52.06 48.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.403 -0.81 . . . . 0.0 109.908 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.401 ' O ' ' OD2' ' A' ' 36' ' ' ASP . 0.4 OUTLIER -55.56 -43.72 76.16 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.205 -0.935 . . . . 0.0 110.04 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -67.77 -41.11 83.8 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.346 -0.846 . . . . 0.0 110.108 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 30' ' ' VAL . 56.8 t -64.37 -46.58 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.939 . . . . 0.0 110.157 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.977 HG23 ' O ' ' A' ' 31' ' ' PHE . 12.0 t -58.7 -41.94 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.193 -0.942 . . . . 0.0 109.953 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 32' ' ' TYR . 2.0 m-20 -58.7 -49.08 78.91 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.244 -0.91 . . . . 0.0 109.893 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.96 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 37.9 t80 -54.74 -41.42 70.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.275 -0.89 . . . . 0.0 109.84 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 34' ' ' VAL . 88.2 t -64.82 -49.6 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.899 . . . . 0.0 109.918 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -28.25 41.1 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.231 -0.918 . . . . 0.0 109.696 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -58.48 3.39 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.387 -0.82 . . . . 0.0 109.918 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.96 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 61.9 mt -61.91 -24.74 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.174 -0.954 . . . . 0.0 109.784 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -68.98 -51.35 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.453 -0.779 . . . . 0.0 109.904 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -62.22 -35.26 78.35 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.287 -0.883 . . . . 0.0 109.971 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.503 ' HA ' ' HD3' ' A' ' 47' ' ' LYS . 4.7 mt -70.8 -35.38 72.51 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.31 -0.869 . . . . 0.0 110.141 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -54.21 48.01 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 0.0 110.227 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.483 ' O ' ' HD3' ' A' ' 48' ' ' ARG . 3.4 m -45.56 -38.39 6.4 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 110.154 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.503 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 2.2 mtpt -83.77 45.78 1.11 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.276 -0.89 . . . . 0.0 110.056 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.483 ' HD3' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -57.65 -154.54 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 0.0 110.364 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.429 ' O ' ' HD3' ' A' ' 50' ' ' ARG . 1.2 m -86.7 38.31 0.79 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.224 -0.923 . . . . 0.0 110.182 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.533 ' CA ' ' OD1' ' A' ' 53' ' ' ASN . 9.0 mmt85 -141.87 -37.28 0.41 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.236 -0.915 . . . . 0.0 110.115 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 50' ' ' ARG . 3.7 p -43.09 -26.87 0.17 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.081 -1.012 . . . . 0.0 109.912 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.705 ' C ' HD12 ' A' ' 52' ' ' LEU . 3.7 pp -80.58 -25.92 38.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.325 -0.859 . . . . 0.0 110.444 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.564 ' ND2' ' N ' ' A' ' 54' ' ' SER . 0.4 OUTLIER -80.04 -36.11 36.23 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.976 -1.078 . . . . 0.0 109.126 179.584 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.564 ' N ' ' ND2' ' A' ' 53' ' ' ASN . 20.3 t -74.79 -37.01 62.51 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.361 -0.837 . . . . 0.0 109.433 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.486 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -72.58 -34.71 67.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.325 -0.86 . . . . 0.0 109.871 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.68 -46.75 68.25 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.214 -0.929 . . . . 0.0 110.028 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -69.13 -27.51 65.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.238 -0.914 . . . . 0.0 110.002 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -88.46 -12.38 43.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.29 -0.881 . . . . 0.0 110.167 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 10.5 t80 -124.16 19.44 9.09 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.287 -0.883 . . . . 0.0 110.215 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.475 ' O ' ' HB ' ' A' ' 61' ' ' VAL . 11.2 ttm180 -64.17 93.66 0.1 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.186 -0.946 . . . . 0.0 110.181 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 60' ' ' ARG . 1.6 p . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.157 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.215 0.531 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -106.49 32.59 4.39 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.288 -0.882 . . . . 0.0 110.23 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.863 ' C ' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -147.05 -77.42 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.359 -0.838 . . . . 0.0 110.351 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.863 HD23 ' C ' ' A' ' 3' ' ' VAL . 1.1 pt? 35.38 31.48 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.617 -0.677 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 3' ' ' VAL . 5.6 t70 -164.8 -89.28 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.245 -0.909 . . . . 0.0 110.196 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.676 HD11 HG12 ' A' ' 3' ' ' VAL . 16.9 mm 42.34 36.71 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.299 -0.876 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 7' ' ' THR . 96.9 m -139.29 7.14 2.38 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.255 -0.903 . . . . 0.0 110.205 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.499 ' O ' ' HD3' ' A' ' 10' ' ' PRO . . . -67.96 72.02 0.17 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.287 -0.883 . . . . 0.0 110.223 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.491 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 6.6 p-10 -107.34 75.11 0.44 Allowed Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.252 -0.905 . . . . 0.0 110.383 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.499 ' HD3' ' O ' ' A' ' 8' ' ' ALA . 45.7 Cg_endo -72.24 -36.46 5.54 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 O-C-N 123.882 1.464 . . . . 0.0 110.4 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 10' ' ' PRO . 10.8 t -177.66 33.63 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.266 -0.896 . . . . 0.0 110.185 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 12' ' ' THR . 4.4 m -121.04 5.93 10.35 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.303 -0.873 . . . . 0.0 110.173 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' THR . . . 42.68 60.04 10.33 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 110.267 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HD2' ' HB2' ' A' ' 9' ' ' ASP . 46.3 Cg_endo -71.43 -44.07 1.22 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 O-C-N 123.996 1.524 . . . . 0.0 110.182 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -48.17 -46.7 35.01 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.235 -0.916 . . . . 0.0 110.201 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -65.94 -28.07 68.64 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.216 -0.927 . . . . 0.0 110.043 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 0.3 OUTLIER -61.16 -47.6 85.44 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.194 -0.941 . . . . 0.0 110.008 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.472 ' O ' HG12 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -69.19 -42.89 75.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.33 -0.856 . . . . 0.0 110.062 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -41.4 90.28 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.26 -0.9 . . . . 0.0 109.99 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.6 mtt -63.53 -47.02 83.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.0 109.411 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -54.55 -35.97 63.82 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.456 -0.777 . . . . 0.0 110.056 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 18' ' ' ARG . 17.1 mm -68.37 -50.78 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 0.0 110.189 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -55.68 -29.51 59.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.903 . . . . 0.0 110.209 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -43.84 52.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.201 -0.937 . . . . 0.0 110.148 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 1.1 tttt -60.28 -40.19 89.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 0.0 110.142 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.73 -58.73 3.79 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.271 -0.893 . . . . 0.0 110.191 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' LYS . 41.5 t-105 -42.41 -46.91 4.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.318 -0.864 . . . . 0.0 110.349 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -38.88 87.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.212 -0.93 . . . . 0.0 110.245 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 8.8 mt-30 -54.85 -60.24 3.63 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.148 -0.97 . . . . 0.0 109.93 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 34' ' ' VAL . 84.2 t -60.66 -29.17 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.238 -0.914 . . . . 0.0 109.82 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.882 ' O ' HG23 ' A' ' 35' ' ' VAL . 13.6 t80 -66.41 -51.26 58.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.368 -0.832 . . . . 0.0 110.022 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.455 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 10.6 t80 -59.12 -41.38 88.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.226 -0.921 . . . . 0.0 110.242 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.48 -49.0 63.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.244 -0.91 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 30' ' ' VAL . 55.6 t -61.32 -50.46 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.926 . . . . 0.0 110.209 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 31' ' ' PHE . 22.2 t -59.19 -36.05 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.226 -0.921 . . . . 0.0 110.066 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 32' ' ' TYR . 1.7 m-20 -62.77 -46.39 88.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.272 -0.892 . . . . 0.0 109.913 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 1.085 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 15.6 t80 -59.46 -41.77 90.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.314 -0.867 . . . . 0.0 109.877 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.43 -43.41 94.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.307 -0.871 . . . . 0.0 110.081 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -60.75 -35.63 76.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 0.0 109.9 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 22.1 mm100 -65.79 -48.04 73.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.379 -0.825 . . . . 0.0 110.002 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 1.085 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 61.9 mt -62.47 -54.2 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.24 -0.912 . . . . 0.0 109.956 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 45' ' ' MET . 5.3 mt -47.79 -67.75 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.279 -0.888 . . . . 0.0 109.584 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 58.9 tt0 -45.66 -33.39 2.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.404 -0.81 . . . . 0.0 110.131 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.474 ' HA ' HD23 ' A' ' 44' ' ' LEU . 1.1 mt -72.92 -28.97 62.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.244 -0.91 . . . . 0.0 110.123 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -67.65 -53.93 23.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.306 -0.871 . . . . 0.0 110.197 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 48' ' ' ARG . 17.7 m -58.82 -37.88 77.38 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.287 -0.883 . . . . 0.0 110.238 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -54.79 85.62 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.22 -0.925 . . . . 0.0 110.232 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER 43.19 -141.17 0.16 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.209 -0.932 . . . . 0.0 109.952 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.47 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 1.8 t 66.98 42.53 2.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.172 -0.955 . . . . 0.0 110.22 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.557 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 95.7 mtt180 -149.98 -37.49 0.15 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 0.0 110.226 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 50' ' ' ARG . 23.6 p -41.72 -29.69 0.2 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.231 -0.918 . . . . 0.0 109.788 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.886 HD13 ' O ' ' A' ' 52' ' ' LEU . 3.1 tm? -75.08 -34.39 61.77 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.417 -0.802 . . . . 0.0 110.019 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.557 ' ND2' ' HA ' ' A' ' 50' ' ' ARG . 37.1 p30 -75.72 -18.09 59.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.116 -0.99 . . . . 0.0 109.435 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.543 ' N ' ' OD1' ' A' ' 53' ' ' ASN . 32.1 t -82.39 -44.65 15.86 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.437 -0.789 . . . . 0.0 109.192 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -67.83 -34.3 76.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.408 -0.808 . . . . 0.0 109.661 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.41 -55.91 6.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.29 -0.881 . . . . 0.0 109.933 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 53' ' ' ASN . 2.2 m-85 -56.41 -28.01 58.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 0.0 109.853 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -89.64 -17.06 29.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.321 -0.862 . . . . 0.0 110.155 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.559 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 80.2 t80 -128.47 54.82 1.73 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.216 -0.928 . . . . 0.0 110.126 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.4 mtm-85 -55.56 150.8 11.55 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.25 -0.906 . . . . 0.0 110.238 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 118.025 -0.988 . . . . 0.0 109.853 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.238 0.542 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.439 ' O ' ' OD2' ' A' ' 5' ' ' ASP . 18.0 m-20 -106.94 32.7 4.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 0.0 110.197 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 5' ' ' ASP . 20.8 t -79.78 -38.09 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.302 -0.874 . . . . 0.0 110.219 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 43.2 tp -61.47 76.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.273 -0.892 . . . . 0.0 110.164 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.534 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 0.5 OUTLIER 175.08 -57.92 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.255 -0.903 . . . . 0.0 110.243 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.534 ' CG1' ' O ' ' A' ' 5' ' ' ASP . 19.6 pt 38.57 28.89 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.575 -0.703 . . . . 0.0 110.615 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 5' ' ' ASP . 85.4 m -121.44 -20.45 6.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 110.124 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.95 33.79 0.54 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.215 -0.928 . . . . 0.0 110.188 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -125.08 75.19 67.39 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.324 -0.86 . . . . 0.0 110.174 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' O ' ' HB ' ' A' ' 11' ' ' THR . 46.4 Cg_endo -73.13 -1.1 10.05 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 O-C-N 124.047 1.551 . . . . 0.0 110.479 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 11' ' ' THR . 86.5 m 57.15 43.68 23.64 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.242 -0.911 . . . . 0.0 110.2 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' A' ' 13' ' ' ALA . 4.9 t -177.78 -39.43 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.267 -0.895 . . . . 0.0 110.217 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.963 ' HB1' ' CG2' ' A' ' 16' ' ' THR . . . -132.99 49.18 4.11 Favored Pre-proline 0 C--N 1.305 -1.341 0 O-C-N 121.266 -0.896 . . . . 0.0 110.624 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 13' ' ' ALA . 39.8 Cg_endo -63.29 -24.4 71.93 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 O-C-N 123.893 1.47 . . . . 0.0 110.33 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.98 -54.22 4.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 0.0 110.206 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.963 ' CG2' ' HB1' ' A' ' 13' ' ' ALA . 7.1 t -58.47 -43.53 88.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.265 -0.897 . . . . 0.0 110.186 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.56 ' N ' HG23 ' A' ' 16' ' ' THR . 0.2 OUTLIER -48.08 -49.47 31.53 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.216 -0.928 . . . . 0.0 110.274 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 6.5 tpt180 -65.05 -41.61 95.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.289 -0.882 . . . . 0.0 110.196 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.486 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -60.8 -47.63 85.47 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.176 -0.953 . . . . 0.0 109.813 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.417 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 28.4 mmt -60.67 -33.65 73.15 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.238 -0.914 . . . . 0.0 109.466 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 8.5 ttm180 -61.92 -45.81 92.07 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.438 -0.789 . . . . 0.0 110.398 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 19' ' ' MET . 0.2 OUTLIER -69.18 -40.74 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.136 -0.978 . . . . 0.0 110.183 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.48 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 16.1 m-80 -68.56 -28.17 66.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.275 -0.89 . . . . 0.0 110.184 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.477 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 9.2 t90 -74.16 -42.87 59.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.307 -0.87 . . . . 0.0 110.063 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -65.32 -41.09 94.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.331 -0.855 . . . . 0.0 110.123 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' TRP . 69.8 tttt -68.09 -64.04 0.94 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.272 -0.893 . . . . 0.0 110.163 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.48 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -42.28 -51.64 4.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.296 -0.877 . . . . 0.0 110.321 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.477 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -61.01 -35.06 75.85 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.186 -0.946 . . . . 0.0 110.103 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -66.07 0.59 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.2 -0.937 . . . . 0.0 109.912 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.553 ' O ' HG23 ' A' ' 34' ' ' VAL . 45.1 t -60.97 -22.12 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.295 -0.878 . . . . 0.0 109.816 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.787 ' O ' HG23 ' A' ' 35' ' ' VAL . 20.9 t80 -72.78 -51.24 19.82 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.405 -0.809 . . . . 0.0 109.988 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -40.86 92.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.173 -0.955 . . . . 0.0 110.155 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -49.83 30.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.282 -0.887 . . . . 0.0 110.209 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 30' ' ' VAL . 52.9 t -59.52 -52.55 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.235 -0.915 . . . . 0.0 110.22 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 31' ' ' PHE . 32.0 t -58.23 -38.15 66.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.199 -0.938 . . . . 0.0 110.046 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -60.49 -44.8 95.57 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.246 -0.909 . . . . 0.0 109.994 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.981 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 15.1 t80 -61.39 -45.42 94.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.219 -0.926 . . . . 0.0 109.904 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.43 -38.84 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.26 -0.9 . . . . 0.0 109.966 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -60.13 -38.53 83.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.283 -0.886 . . . . 0.0 109.816 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 1.4 tt0 -65.76 -52.02 54.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.488 -0.758 . . . . 0.0 109.966 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.981 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 55.0 mt -61.52 -52.27 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.285 -0.884 . . . . 0.0 109.968 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 43' ' ' GLN . 7.5 mt -47.78 -69.53 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.434 ' N ' HG22 ' A' ' 42' ' ' ILE . 10.8 tt0 -45.53 -32.51 2.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.402 -0.811 . . . . 0.0 110.097 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 44' ' ' LEU . 1.2 mt -72.73 -29.0 62.98 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.243 -0.911 . . . . 0.0 110.164 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . 1.032 ' CE ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -72.94 -53.98 9.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.326 -0.859 . . . . 0.0 110.17 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.1 t -62.96 -15.14 54.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.201 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.504 ' O ' ' HD3' ' A' ' 48' ' ' ARG . 7.0 tppt? -74.36 -19.8 60.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.2 -0.938 . . . . 0.0 110.219 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.504 ' HD3' ' O ' ' A' ' 47' ' ' LYS . 7.0 mmt180 -120.39 42.3 3.01 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -0.89 . . . . 0.0 109.988 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.536 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 12.5 t 46.68 56.47 6.51 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.29 -0.881 . . . . 0.0 110.221 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 49' ' ' SER . 2.5 ptp180 37.02 45.34 0.44 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.712 -0.617 . . . . 0.0 110.691 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 t -61.07 -57.15 13.75 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.262 -0.899 . . . . 0.0 110.189 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.032 HD23 ' CE ' ' A' ' 45' ' ' MET . 29.1 tp -54.45 -32.71 58.19 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.247 -0.908 . . . . 0.0 110.151 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -74.16 -25.64 59.85 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.21 -0.931 . . . . 0.0 109.575 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' ' 58' ' ' TYR . 3.1 t -73.83 -39.32 64.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.335 -0.853 . . . . 0.0 109.762 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -71.99 -40.21 68.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.324 -0.86 . . . . 0.0 109.974 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.95 -35.47 80.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.264 -0.898 . . . . 0.0 110.094 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -78.98 -24.4 43.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 110.135 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.481 ' HB2' ' O ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -95.16 -7.43 39.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.273 -0.892 . . . . 0.0 110.182 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 75.5 t80 -123.97 19.42 9.24 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.267 -0.896 . . . . 0.0 110.169 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 60' ' ' ARG . 6.7 ttt180 -114.9 1.22 13.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.213 -0.929 . . . . 0.0 110.229 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.018 -0.992 . . . . 0.0 109.844 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.246 0.546 . . . . 0.0 110.176 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.11 114.43 0.49 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.219 -0.926 . . . . 0.0 110.194 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.571 ' O ' HD11 ' A' ' 6' ' ' ILE . 48.7 t -73.02 -3.22 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.231 -0.918 . . . . 0.0 110.197 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.998 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 39.9 tp -82.56 -61.75 1.8 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.254 -0.904 . . . . 0.0 110.271 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -42.34 -54.39 3.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.268 -0.895 . . . . 0.0 110.326 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.855 ' O ' HD12 ' A' ' 6' ' ' ILE . 1.8 pp -43.01 95.6 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.285 -0.884 . . . . 0.0 110.208 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 7' ' ' THR . 86.2 m 53.33 61.19 3.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.205 -0.934 . . . . 0.0 110.234 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.998 ' HB2' ' O ' ' A' ' 4' ' ' LEU . . . -95.23 -164.26 1.14 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.294 -0.879 . . . . 0.0 110.256 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 24.7 t0 -131.35 61.38 58.76 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.278 -0.889 . . . . 0.0 110.202 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.462 ' O ' ' HB ' ' A' ' 11' ' ' THR . 46.5 Cg_endo -73.63 -0.26 9.1 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 O-C-N 124.005 1.529 . . . . 0.0 110.51 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.804 HG23 ' H ' ' A' ' 13' ' ' ALA . 12.8 t -178.14 178.11 0.95 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.261 -0.899 . . . . 0.0 110.284 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.409 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 5.5 m -65.97 -11.14 45.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.245 -0.91 . . . . 0.0 110.17 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.804 ' H ' HG23 ' A' ' 11' ' ' THR . . . 54.9 68.53 2.53 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.247 -0.908 . . . . 0.0 110.371 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 44.3 Cg_endo -69.53 -46.34 1.36 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 O-C-N 123.983 1.518 . . . . 0.0 110.131 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -48.62 -48.87 39.08 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.232 -0.917 . . . . 0.0 110.097 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 m -62.07 -28.34 69.54 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.268 -0.895 . . . . 0.0 109.947 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 0.4 OUTLIER -63.06 -46.99 84.88 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.189 -0.944 . . . . 0.0 109.988 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.487 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -66.84 -38.89 87.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 0.0 109.862 179.797 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.2 ttp -63.03 -51.39 66.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.288 -0.882 . . . . 0.0 109.595 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.21 -42.42 86.19 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.429 -0.795 . . . . 0.0 109.232 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -54.52 -40.98 69.14 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.459 -0.776 . . . . 0.0 109.866 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.523 ' HA ' ' HG2' ' A' ' 25' ' ' LYS . 5.7 mt -65.46 -58.57 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.899 . . . . 0.0 109.894 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 22' ' ' ILE . 5.6 m-20 -43.77 -34.57 1.59 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.183 -0.948 . . . . 0.0 109.774 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.517 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -72.53 -40.48 66.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.386 -0.822 . . . . 0.0 109.98 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HG2' ' HA ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -64.99 -21.75 66.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.926 . . . . 0.0 109.862 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.511 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 26.3 tttm -83.19 -64.99 1.06 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.371 -0.831 . . . . 0.0 109.806 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.435 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -45.3 -38.88 6.04 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.274 -0.891 . . . . 0.0 109.91 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.443 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -73.58 -47.11 42.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.346 -0.846 . . . . 0.0 110.146 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -49.17 -54.07 18.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.193 -0.942 . . . . 0.0 110.001 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -70.78 -27.81 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.272 -0.893 . . . . 0.0 110.013 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CE1' HG21 ' A' ' 35' ' ' VAL . 8.4 t80 -65.62 -44.68 85.75 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.325 -0.859 . . . . 0.0 110.172 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 4.2 t80 -75.89 -32.64 59.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.234 -0.916 . . . . 0.0 110.606 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -75.65 -45.79 35.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.161 -0.962 . . . . 0.0 110.504 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.1 t -67.74 -48.63 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.103 -0.998 . . . . 0.0 110.023 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.573 HG21 ' CE1' ' A' ' 31' ' ' PHE . 24.2 t -64.79 -32.64 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.262 -0.899 . . . . 0.0 110.01 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 32' ' ' TYR . 5.0 m-20 -65.52 -42.39 92.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.162 -0.961 . . . . 0.0 109.537 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.536 ' CE1' HD11 ' A' ' 41' ' ' ILE . 8.1 t80 -61.99 -48.05 82.06 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.272 -0.893 . . . . 0.0 109.567 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.3 t -59.01 -39.83 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.286 -0.884 . . . . 0.0 109.857 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -60.07 -39.7 86.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.236 -0.915 . . . . 0.0 109.803 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.79 -39.83 94.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.455 -0.778 . . . . 0.0 109.882 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.536 HD11 ' CE1' ' A' ' 37' ' ' TYR . 20.8 mm -58.67 -57.58 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.203 -0.935 . . . . 0.0 109.232 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.486 ' HA ' ' CG ' ' A' ' 45' ' ' MET . 4.9 mt -46.64 -59.86 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.474 -0.766 . . . . 0.0 109.176 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 42' ' ' ILE . 4.6 tt0 -40.99 -40.19 1.36 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.642 -0.661 . . . . 0.0 109.699 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.494 ' HA ' HD23 ' A' ' 44' ' ' LEU . 5.3 mt -75.48 -35.22 60.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.321 -0.862 . . . . 0.0 109.796 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 25.0 mtp -47.72 -46.82 30.05 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.423 -0.798 . . . . 0.0 110.192 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.531 ' CB ' ' HE2' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -42.61 -31.24 0.43 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.334 -0.854 . . . . 0.0 110.212 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.531 ' HE2' ' CB ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -79.66 158.99 26.89 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.251 -0.906 . . . . 0.0 109.94 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.446 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -179.56 85.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.202 -0.936 . . . . 0.0 110.244 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.457 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 23.1 t -129.49 20.94 5.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.287 -0.883 . . . . 0.0 110.247 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER 171.93 -27.62 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.283 -0.885 . . . . 0.0 110.264 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' ARG . 9.1 p -42.79 -62.79 0.91 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.292 -0.88 . . . . 0.0 110.235 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -51.03 -34.07 27.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.277 -0.889 . . . . 0.0 110.199 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 57' ' ' PHE . 50.8 t-20 -71.66 -25.35 62.09 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.27 -0.894 . . . . 0.0 109.663 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -43.31 55.41 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.316 -0.865 . . . . 0.0 109.699 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.468 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -67.1 -36.25 81.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.317 -0.864 . . . . 0.0 109.97 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.539 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . -83.27 -22.56 32.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.276 -0.89 . . . . 0.0 110.114 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 53' ' ' ASN . 47.4 t80 -96.81 -3.9 41.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.136 -0.978 . . . . 0.0 110.472 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -116.43 -28.88 6.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.08 -1.012 . . . . 0.0 110.645 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.539 ' CD1' ' C ' ' A' ' 59' ' ' TYR . 2.1 p90 -45.03 -27.73 0.6 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.066 -1.021 . . . . 0.0 110.155 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.469 ' O ' ' HB ' ' A' ' 61' ' ' VAL . 1.0 OUTLIER -74.41 170.29 15.96 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.327 -0.858 . . . . 0.0 110.249 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 60' ' ' ARG . 1.6 p . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.138 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.235 0.541 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.794 ' O ' HG23 ' A' ' 3' ' ' VAL . 22.1 p30 -161.58 100.88 1.18 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.903 . . . . 0.0 110.218 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 2' ' ' ASP . 7.6 t -160.97 -58.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.305 -0.872 . . . . 0.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.724 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -77.41 57.74 1.57 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.129 -0.982 . . . . 0.0 110.243 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 7.3 t70 175.83 -56.18 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.211 -0.931 . . . . 0.0 110.198 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.547 HD11 ' HA ' ' A' ' 3' ' ' VAL . 18.1 mm 42.81 38.76 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.24 -0.912 . . . . 0.0 110.318 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 6' ' ' ILE . 18.8 m 42.68 61.7 1.99 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.284 -0.885 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.465 ' C ' ' HD3' ' A' ' 10' ' ' PRO . . . -57.75 -168.44 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.272 -0.893 . . . . 0.0 110.208 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 9' ' ' ASP . 7.2 p-10 -118.15 56.19 2.38 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.258 -0.901 . . . . 0.0 110.459 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.465 ' HD3' ' C ' ' A' ' 8' ' ' ALA . 44.5 Cg_endo -71.19 -3.21 12.46 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 O-C-N 123.912 1.48 . . . . 0.0 110.457 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -89.35 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.262 -0.899 . . . . 0.0 110.145 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.492 HG22 ' HD3' ' A' ' 14' ' ' PRO . 18.4 m -93.92 -35.52 12.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.281 -0.887 . . . . 0.0 110.106 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 17' ' ' GLU . . . 41.86 59.49 9.51 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.385 -0.822 . . . . 0.0 110.424 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.51 ' O ' ' N ' ' A' ' 17' ' ' GLU . 42.0 Cg_endo -70.63 -82.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 O-C-N 124.026 1.54 . . . . 0.0 110.447 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -42.13 -34.95 0.81 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.125 -0.984 . . . . 0.0 110.18 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 20' ' ' MET . 3.0 m -72.37 -28.51 63.07 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.248 -0.907 . . . . 0.0 110.102 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -66.45 -43.03 86.7 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.138 -0.976 . . . . 0.0 109.654 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.479 ' O ' HD13 ' A' ' 22' ' ' ILE . 14.5 tpt180 -69.86 -42.58 73.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.325 -0.859 . . . . 0.0 109.734 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.0 ttt -61.92 -49.93 74.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.302 -0.874 . . . . 0.0 109.585 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 16' ' ' THR . 0.7 OUTLIER -57.28 -39.6 76.01 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.42 -0.8 . . . . 0.0 109.272 179.506 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 17.6 tpp180 -56.65 -46.6 80.97 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.461 -0.774 . . . . 0.0 110.072 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.569 ' CD1' ' N ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -68.87 -50.84 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.273 -0.892 . . . . 0.0 109.79 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.474 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 9.4 m-80 -56.31 -26.75 53.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 0.0 110.038 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.483 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -75.82 -45.92 33.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.899 . . . . 0.0 110.035 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -57.89 -40.19 79.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 0.0 110.154 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 12.4 mmtt -72.24 -64.51 0.93 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.224 -0.922 . . . . 0.0 110.207 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.584 ' HA ' ' CE3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -42.3 -48.74 5.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.24 -0.913 . . . . 0.0 110.396 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.483 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -63.36 -40.63 97.8 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.207 -0.933 . . . . 0.0 110.186 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -53.41 -59.24 4.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.11 -0.994 . . . . 0.0 109.814 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 34' ' ' VAL . 17.5 t -59.87 -28.07 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.323 -0.861 . . . . 0.0 109.79 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.881 ' O ' HG23 ' A' ' 35' ' ' VAL . 11.1 t80 -68.44 -51.43 43.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.408 -0.808 . . . . 0.0 109.973 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -57.16 -42.9 81.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.251 -0.905 . . . . 0.0 110.096 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.4 m -69.92 -44.1 70.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.258 -0.901 . . . . 0.0 110.225 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 30' ' ' VAL . 54.4 t -61.99 -51.55 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 110.133 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 31' ' ' PHE . 18.8 t -56.97 -40.04 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.209 -0.932 . . . . 0.0 109.981 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -59.08 -48.12 82.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.27 -0.893 . . . . 0.0 109.797 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.716 ' CE1' HD11 ' A' ' 41' ' ' ILE . 14.3 t80 -55.41 -44.96 76.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.907 . . . . 0.0 109.719 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -55.74 -45.67 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.293 -0.879 . . . . 0.0 109.935 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -41.79 79.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.241 -0.912 . . . . 0.0 109.743 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 90.3 mm-40 -60.2 -38.37 83.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.456 -0.777 . . . . 0.0 109.878 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.716 HD11 ' CE1' ' A' ' 37' ' ' TYR . 21.3 mm -62.38 -55.5 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.287 -0.883 . . . . 0.0 109.723 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.0 mt -48.91 -65.82 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.299 -0.876 . . . . 0.0 109.504 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.463 ' O ' ' HB3' ' A' ' 47' ' ' LYS . 28.6 tt0 -46.5 -32.33 3.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.526 -0.734 . . . . 0.0 110.097 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.48 ' HA ' HD23 ' A' ' 44' ' ' LEU . 1.3 mt -74.55 -29.18 61.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.202 -0.936 . . . . 0.0 110.151 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.5 tpt -68.77 -48.23 64.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.247 -0.908 . . . . 0.0 110.078 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.4 m -74.91 -41.07 60.42 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.883 . . . . 0.0 110.331 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.531 ' CG ' ' N ' ' A' ' 48' ' ' ARG . 10.6 ttpp -99.72 172.21 7.41 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.263 -0.898 . . . . 0.0 110.09 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.531 ' N ' ' CG ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -106.33 154.16 21.16 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.241 -0.912 . . . . 0.0 110.075 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 p -69.23 -85.16 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.233 -0.917 . . . . 0.0 110.171 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.508 ' HA ' ' OD1' ' A' ' 53' ' ' ASN . 3.2 tpt180 -135.62 9.21 3.37 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.244 -0.91 . . . . 0.0 110.139 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.503 ' OG ' ' N ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -62.26 -80.36 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.206 -0.934 . . . . 0.0 110.258 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.514 ' CD1' ' N ' ' A' ' 52' ' ' LEU . 5.8 mp -45.48 -28.63 0.94 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.213 -0.93 . . . . 0.0 109.929 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.508 ' OD1' ' HA ' ' A' ' 50' ' ' ARG . 5.5 m120 -58.6 -66.26 0.52 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.297 -0.877 . . . . 0.0 109.84 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -38.47 53.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.335 -0.853 . . . . 0.0 109.845 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -62.39 -40.16 95.59 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.282 -0.886 . . . . 0.0 109.969 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.581 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . -77.78 -21.75 51.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.284 -0.885 . . . . 0.0 110.085 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.52 -7.2 44.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.22 -0.925 . . . . 0.0 110.38 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -114.79 -18.11 11.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.174 -0.954 . . . . 0.0 110.584 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.581 ' CE1' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -70.56 -3.94 20.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.131 -0.981 . . . . 0.0 110.301 -179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.53 ' N ' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -42.6 140.46 1.27 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.31 -0.869 . . . . 0.0 110.227 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 60' ' ' ARG . 1.6 p . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.115 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.5 t . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.23 0.538 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.75 32.79 4.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.291 -0.881 . . . . 0.0 110.171 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.811 HG12 ' H ' ' A' ' 5' ' ' ASP . 22.4 t -79.85 -53.17 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.347 -0.845 . . . . 0.0 110.238 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.569 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 12.6 mt 40.4 31.37 0.1 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.357 -0.839 . . . . 0.0 110.311 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.811 ' H ' HG12 ' A' ' 3' ' ' VAL . 6.1 t0 79.59 -23.72 0.23 Allowed 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.781 -0.574 . . . . 0.0 111.376 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 1.9 pp -42.04 -26.75 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 120.984 -1.072 . . . . 0.0 110.545 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.595 HG22 ' N ' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -130.9 -54.12 1.06 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.107 -0.996 . . . . 0.0 110.022 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.826 ' HB3' ' HG1' ' A' ' 16' ' ' THR . . . 41.43 49.97 3.56 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.263 -0.898 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.926 ' CB ' ' HB2' ' A' ' 13' ' ' ALA . 19.2 p-10 -107.27 75.57 0.45 Allowed Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.228 -0.92 . . . . 0.0 110.443 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 8' ' ' ALA . 45.4 Cg_endo -72.07 -56.31 0.1 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 O-C-N 123.888 1.468 . . . . 0.0 110.256 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.12 -44.07 2.71 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.318 -0.864 . . . . 0.0 110.154 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 12' ' ' THR . 4.7 m -142.42 9.54 1.84 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.219 -0.925 . . . . 0.0 110.233 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.926 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . . . 40.17 50.26 3.4 Favored Pre-proline 0 N--CA 1.493 1.722 0 O-C-N 121.373 -0.83 . . . . 0.0 110.758 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 13' ' ' ALA . 47.1 Cg_endo -71.65 -50.97 0.26 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 O-C-N 123.871 1.458 . . . . 0.0 110.209 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -56.13 -42.97 77.74 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.255 -0.903 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.826 ' HG1' ' HB3' ' A' ' 8' ' ' ALA . 3.0 m -68.58 -28.6 67.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.171 -0.955 . . . . 0.0 110.113 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' OE2' ' HE1' ' A' ' 20' ' ' MET . 0.3 OUTLIER -60.29 -49.05 79.14 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 121.103 -0.998 . . . . 0.0 109.975 179.757 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 ttm-85 -69.82 -39.59 76.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.365 -0.834 . . . . 0.0 110.001 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 tpp -60.31 -40.32 90.11 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.288 -0.883 . . . . 0.0 110.029 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.471 ' HE1' ' OE2' ' A' ' 17' ' ' GLU . 5.0 mtm -66.16 -50.18 64.83 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.19 -0.944 . . . . 0.0 109.461 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -58.17 -29.35 65.54 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.418 -0.801 . . . . 0.0 110.068 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.1 mm -79.12 -37.76 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 110.199 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -64.12 -33.99 77.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.177 -0.952 . . . . 0.0 110.143 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.522 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -79.16 -49.92 11.81 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.194 -0.941 . . . . 0.0 110.035 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 18.0 tttt -62.74 -32.06 73.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.333 -0.854 . . . . 0.0 110.129 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' TRP . 8.6 tttp -77.62 -61.27 2.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.862 . . . . 0.0 110.109 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.468 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 8.0 t-105 -42.24 -49.06 5.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.42 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -70.09 -44.82 68.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.161 -0.962 . . . . 0.0 110.264 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -54.14 -59.73 4.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.201 -0.937 . . . . 0.0 109.976 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.766 ' O ' HG23 ' A' ' 34' ' ' VAL . 93.5 t -62.24 -27.02 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.225 -0.922 . . . . 0.0 109.798 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.787 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.3 t80 -67.78 -52.18 40.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.39 -0.819 . . . . 0.0 109.981 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -40.47 90.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.237 -0.914 . . . . 0.0 110.223 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -43.14 70.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.279 -0.888 . . . . 0.0 110.221 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 30' ' ' VAL . 50.2 t -60.09 -52.27 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.253 -0.905 . . . . 0.0 110.184 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 31' ' ' PHE . 9.7 t -60.65 -43.84 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 110.046 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 50.3 m-20 -62.16 -39.5 92.86 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.192 -0.943 . . . . 0.0 109.805 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.882 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 15.9 t80 -60.51 -40.51 91.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.33 -0.856 . . . . 0.0 109.857 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 34' ' ' VAL . 48.2 t -67.93 -48.68 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.253 -0.904 . . . . 0.0 109.886 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -57.11 -26.42 60.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.15 -0.968 . . . . 0.0 109.559 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.487 ' O ' HD23 ' A' ' 44' ' ' LEU . 26.0 mm100 -73.12 -57.48 3.99 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.383 -0.823 . . . . 0.0 109.939 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.882 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 60.6 mt -61.98 -30.88 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.196 -0.94 . . . . 0.0 109.526 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.34 -55.31 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.475 -0.766 . . . . 0.0 109.647 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 47' ' ' LYS . 2.8 tt0 -54.53 -42.95 71.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.293 -0.879 . . . . 0.0 109.629 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 3.1 mm? -62.98 -46.08 89.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.345 -0.847 . . . . 0.0 110.289 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -58.8 6.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.287 -0.883 . . . . 0.0 110.238 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' A' ' 47' ' ' LYS . 28.8 m -73.33 -23.01 60.19 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 110.183 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.536 ' O ' ' CG ' ' A' ' 48' ' ' ARG . 0.4 OUTLIER 59.06 14.76 3.61 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.258 -0.901 . . . . 0.0 110.266 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 47' ' ' LYS . 12.0 ptt180 38.54 36.39 0.13 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.543 -0.723 . . . . 0.0 110.603 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 p -161.28 134.0 6.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.271 -0.893 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.88 14.74 6.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.267 -0.896 . . . . 0.0 110.307 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -58.84 5.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.224 -0.923 . . . . 0.0 110.159 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 52' ' ' LEU . 49.5 mt -60.19 -27.58 67.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.214 -0.929 . . . . 0.0 110.066 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -78.43 -25.53 46.02 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.242 -0.911 . . . . 0.0 109.601 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 58' ' ' TYR . 46.2 t -76.2 -36.5 58.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.311 -0.868 . . . . 0.0 109.656 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -76.06 -39.33 55.72 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.29 -0.881 . . . . 0.0 109.921 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.83 -40.77 88.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.0 110.026 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -77.81 -24.7 48.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.863 . . . . 0.0 110.119 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 54' ' ' SER . 28.4 t80 -88.7 -12.11 43.28 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 110.192 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 7.6 t80 -115.77 12.67 15.98 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.281 -0.887 . . . . 0.0 110.137 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.471 ' O ' ' HB ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -129.84 6.08 5.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.13 -0.982 . . . . 0.0 110.156 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.471 ' HB ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.168 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.297 0.57 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 3.9 m-20 -105.93 101.09 10.61 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.163 -0.961 . . . . 0.0 110.164 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 3' ' ' VAL . 54.8 t -99.34 9.85 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.227 -0.921 . . . . 0.0 110.141 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.804 ' N ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -117.38 45.04 1.99 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.399 -0.813 . . . . 0.0 110.132 179.328 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -172.72 -54.96 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.515 -0.741 . . . . 0.0 110.087 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.421 ' O ' ' OG1' ' A' ' 7' ' ' THR . 8.8 mm -109.44 40.7 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.099 -1.001 . . . . 0.0 110.111 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.428 ' CG2' HG13 ' A' ' 3' ' ' VAL . 1.2 m -176.99 -30.75 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.357 -0.84 . . . . 0.0 110.037 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.527 ' HB2' ' HA ' ' A' ' 4' ' ' LEU . . . -45.16 -72.09 0.06 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.13 -0.981 . . . . 0.0 110.327 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.458 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 6.2 t70 -153.82 95.63 2.81 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.225 -0.922 . . . . 0.0 110.328 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -72.92 -37.88 3.33 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 O-C-N 124.016 1.535 . . . . 0.0 110.318 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.469 ' O ' ' HB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -117.13 -78.11 0.58 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.312 -0.867 . . . . 0.0 110.056 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 11' ' ' THR . 5.7 t -177.45 28.44 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.307 -0.871 . . . . 0.0 110.435 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.973 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . . . -74.77 -62.58 0.89 Allowed Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.167 -0.958 . . . . 0.0 110.392 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.973 ' HD3' ' HB3' ' A' ' 13' ' ' ALA . 47.4 Cg_endo -72.65 -2.5 11.95 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 O-C-N 123.735 1.387 . . . . 0.0 110.065 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -84.08 -32.07 24.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.249 -0.907 . . . . 0.0 110.141 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.55 ' CG2' ' N ' ' A' ' 17' ' ' GLU . 2.9 t -72.22 -44.92 62.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.203 -0.936 . . . . 0.0 110.12 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.55 ' N ' ' CG2' ' A' ' 16' ' ' THR . 0.8 OUTLIER -52.82 -44.97 67.05 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.243 -0.91 . . . . 0.0 110.267 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -69.56 -40.96 76.48 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.299 -0.876 . . . . 0.0 110.035 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -44.15 97.4 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.231 -0.918 . . . . 0.0 109.859 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 16' ' ' THR . 5.3 mtt -61.32 -44.25 97.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.24 -0.912 . . . . 0.0 109.427 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -55.16 -41.57 72.01 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.376 -0.827 . . . . 0.0 110.04 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' A' ' 22' ' ' ILE . 15.9 mm -64.54 -52.53 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.24 -0.912 . . . . 0.0 110.11 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.475 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 14.1 m-80 -58.9 -20.1 48.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.925 . . . . 0.0 110.051 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -78.08 -47.63 17.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.297 -0.877 . . . . 0.0 110.138 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -42.02 99.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.249 -0.907 . . . . 0.0 110.069 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' TRP . 3.6 tptm -68.32 -61.21 1.94 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.269 -0.895 . . . . 0.0 110.002 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.475 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 8.5 t90 -42.63 -40.84 2.87 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.299 -0.876 . . . . 0.0 110.141 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.465 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -65.47 -46.41 79.92 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.323 -0.861 . . . . 0.0 110.092 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.25 -61.76 2.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 109.747 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 34' ' ' VAL . 15.9 t -59.2 -27.73 37.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.335 -0.853 . . . . 0.0 109.736 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.009 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.8 t80 -67.01 -52.77 38.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.384 -0.822 . . . . 0.0 109.872 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -56.24 -43.46 78.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.164 -0.96 . . . . 0.0 109.992 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 66.5 m -67.77 -44.55 77.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.29 -0.881 . . . . 0.0 110.119 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 30' ' ' VAL . 54.5 t -61.77 -46.28 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.241 -0.912 . . . . 0.0 110.072 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.009 HG23 ' O ' ' A' ' 31' ' ' PHE . 20.8 t -56.92 -44.6 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.205 -0.934 . . . . 0.0 109.857 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.27 -51.3 68.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.0 109.789 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.682 ' CE1' HD11 ' A' ' 41' ' ' ILE . 10.7 t80 -55.35 -44.86 76.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.912 . . . . 0.0 109.578 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' O ' HG12 ' A' ' 42' ' ' ILE . 66.3 t -56.66 -45.08 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.338 -0.851 . . . . 0.0 109.863 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -55.95 -42.62 76.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.23 -0.919 . . . . 0.0 109.668 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -60.1 -39.41 86.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.471 -0.768 . . . . 0.0 109.726 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.682 HD11 ' CE1' ' A' ' 37' ' ' TYR . 20.9 mm -62.07 -40.14 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.328 -0.857 . . . . 0.0 109.87 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 38' ' ' VAL . 22.8 mm -61.51 -47.14 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.362 -0.836 . . . . 0.0 109.958 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -59.81 -36.13 76.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.296 -0.878 . . . . 0.0 110.166 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.499 ' HA ' HD23 ' A' ' 44' ' ' LEU . 6.4 mt -74.0 -43.36 58.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.222 -0.924 . . . . 0.0 110.23 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -49.01 -43.89 40.76 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.225 -0.922 . . . . 0.0 110.15 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' MET . 13.1 t -44.51 -30.08 0.82 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.288 -0.882 . . . . 0.0 110.19 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' O ' ' HD3' ' A' ' 48' ' ' ARG . 2.3 mmtp -60.66 -33.96 73.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.248 -0.907 . . . . 0.0 110.156 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 47' ' ' LYS . 9.3 mmt-85 -120.25 -77.0 0.58 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.248 -0.908 . . . . 0.0 109.994 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 p 47.83 33.23 3.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.264 -0.897 . . . . 0.0 110.205 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -125.97 -30.64 2.96 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.201 -0.937 . . . . 0.0 110.225 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -43.97 -58.83 2.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.21 -0.931 . . . . 0.0 110.328 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.1 mt -54.88 -28.43 50.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.929 . . . . 0.0 110.21 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -78.69 -25.97 44.87 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.175 -0.953 . . . . 0.0 109.64 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 58' ' ' TYR . 20.1 t -75.75 -32.58 60.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.325 -0.859 . . . . 0.0 109.676 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.486 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -78.96 -42.31 27.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.331 -0.856 . . . . 0.0 109.955 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.27 -36.8 83.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 0.0 110.07 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.474 ' CE1' HG11 ' A' ' 61' ' ' VAL . 2.1 t80 -83.68 -23.75 31.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 0.0 110.151 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.489 ' CB ' ' O ' ' A' ' 54' ' ' SER . 68.7 t80 -91.29 -8.74 47.38 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.889 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.58 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 34.8 t80 -113.57 10.76 18.15 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.2 -0.937 . . . . 0.0 110.193 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.865 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -149.18 23.06 0.94 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.118 -0.989 . . . . 0.0 110.232 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 60' ' ' ARG . 2.4 t . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.001 -1.0 . . . . 0.0 109.835 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.216 0.531 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' OE1' ' CA ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -60.71 -47.07 87.94 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.14 -0.975 . . . . 0.0 110.026 179.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 ttm-85 -69.02 -43.16 75.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.366 -0.834 . . . . 0.0 109.964 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -43.28 95.97 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.238 -0.914 . . . . 0.0 109.938 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -44.22 97.61 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.221 -0.924 . . . . 0.0 109.308 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.526 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 2.0 ttt85 -54.17 -43.65 70.82 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.421 -0.799 . . . . 0.0 109.958 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.503 ' HA ' ' HG3' ' A' ' 25' ' ' LYS . 40.0 mm -65.4 -35.65 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.287 -0.883 . . . . 0.0 110.077 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -62.85 -42.49 99.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.277 -0.889 . . . . 0.0 110.156 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.46 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 1.4 t90 -68.21 -35.5 78.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 109.764 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 21' ' ' ARG . 1.4 mmtm -59.41 -53.63 56.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.363 -0.836 . . . . 0.0 110.117 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' TRP . 2.5 mmtp -65.3 -58.18 6.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.268 -0.895 . . . . 0.0 110.05 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.479 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 6.2 t-105 -42.33 -39.35 2.11 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.327 -0.858 . . . . 0.0 110.244 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.46 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -69.66 -43.63 72.16 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.247 -0.908 . . . . 0.0 110.057 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.82 -61.65 2.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.229 -0.92 . . . . 0.0 109.785 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.757 ' O ' HG23 ' A' ' 34' ' ' VAL . 63.5 t -59.06 -27.77 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.892 . . . . 0.0 109.693 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.995 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.7 t80 -67.52 -52.28 40.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.374 -0.829 . . . . 0.0 109.827 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -56.31 -43.3 78.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.238 -0.914 . . . . 0.0 110.02 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -43.12 76.58 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.236 -0.915 . . . . 0.0 110.154 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 30' ' ' VAL . 53.8 t -62.5 -46.6 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.223 -0.923 . . . . 0.0 110.101 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.995 HG23 ' O ' ' A' ' 31' ' ' PHE . 16.4 t -58.8 -43.71 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 109.919 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -56.48 -47.66 78.77 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.229 -0.92 . . . . 0.0 109.803 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.566 ' CE1' HD11 ' A' ' 41' ' ' ILE . 18.6 t80 -54.88 -46.62 74.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.257 -0.902 . . . . 0.0 109.775 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.3 t -55.67 -46.54 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.256 -0.902 . . . . 0.0 109.912 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -54.06 -43.92 70.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.27 -0.894 . . . . 0.0 109.661 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -59.13 -39.69 83.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.52 -0.738 . . . . 0.0 109.785 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.566 HD11 ' CE1' ' A' ' 37' ' ' TYR . 18.6 mm -63.56 -56.39 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 0.0 109.674 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 45' ' ' MET . 7.2 mt -46.2 -67.42 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.325 -0.859 . . . . 0.0 109.408 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -44.16 -37.54 3.2 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.423 -0.798 . . . . 0.0 109.796 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mt -68.53 -29.85 68.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.347 -0.846 . . . . 0.0 110.021 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' ILE . 1.2 ttt -83.88 -33.57 24.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.861 . . . . 0.0 110.207 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.304 -0.873 . . . . 0.0 110.462 -179.796 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.267 0.556 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.5 tp -55.22 -28.74 55.31 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.21 -0.931 . . . . 0.0 110.188 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' A' ' 57' ' ' PHE . 22.9 t-20 -78.18 -25.71 47.31 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.28 -0.887 . . . . 0.0 109.595 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 58' ' ' TYR . 8.1 t -75.3 -35.21 61.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.331 -0.855 . . . . 0.0 109.73 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.38 -40.87 42.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.332 -0.855 . . . . 0.0 109.972 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.44 88.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.284 -0.885 . . . . 0.0 110.097 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' A' ' 53' ' ' ASN . 6.4 m-85 -84.03 -20.62 32.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.237 -0.914 . . . . 0.0 110.177 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.491 ' CB ' ' O ' ' A' ' 54' ' ' SER . 49.2 t80 . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.19 -0.944 . . . . 0.0 110.291 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.199 0.523 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CA ' ' OE1' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -60.64 -46.51 90.03 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.168 -0.958 . . . . 0.0 110.059 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.08 -42.81 68.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.336 -0.853 . . . . 0.0 110.099 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -38.87 89.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.242 -0.911 . . . . 0.0 110.059 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.2 mmt -65.14 -48.68 72.73 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.187 -0.946 . . . . 0.0 109.497 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.3 ttm-85 -55.83 -33.93 64.93 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.39 -0.818 . . . . 0.0 110.036 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 22' ' ' ILE . 16.1 mm -72.83 -36.53 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 0.0 110.226 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -68.09 -29.16 68.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.0 110.187 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.525 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -77.82 -47.43 18.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.239 -0.913 . . . . 0.0 110.125 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -58.97 -40.48 84.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.279 -0.888 . . . . 0.0 110.141 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' TRP . 1.2 tttt -73.67 -53.01 11.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 0.0 110.095 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' LYS . 45.0 t-105 -42.11 -51.64 4.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.277 -0.89 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.461 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -68.06 -43.11 79.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.237 -0.914 . . . . 0.0 110.181 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -55.18 -60.48 3.32 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.234 -0.916 . . . . 0.0 109.922 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.796 ' O ' HG23 ' A' ' 34' ' ' VAL . 92.8 t -59.58 -27.52 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.314 -0.866 . . . . 0.0 109.732 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.893 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.4 t80 -67.67 -52.33 39.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.366 -0.834 . . . . 0.0 109.955 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -57.46 -42.37 82.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.171 -0.956 . . . . 0.0 110.14 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 m -69.63 -42.68 74.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.294 -0.879 . . . . 0.0 110.205 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 30' ' ' VAL . 49.5 t -59.91 -48.87 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.22 -0.925 . . . . 0.0 110.176 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 31' ' ' PHE . 11.1 t -59.15 -46.6 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.205 -0.934 . . . . 0.0 109.978 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.94 -43.44 81.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.223 -0.923 . . . . 0.0 109.814 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.572 ' CE1' HD11 ' A' ' 41' ' ' ILE . 18.8 t80 -56.88 -45.51 82.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.305 -0.872 . . . . 0.0 109.807 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.94 -46.73 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.875 . . . . 0.0 109.941 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -54.95 -42.21 72.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.216 -0.927 . . . . 0.0 109.764 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -60.21 -40.71 91.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.411 -0.806 . . . . 0.0 109.892 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.572 HD11 ' CE1' ' A' ' 37' ' ' TYR . 18.5 mm -60.67 -53.21 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.884 . . . . 0.0 109.749 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.3 mt -50.1 -65.96 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.303 -0.873 . . . . 0.0 109.555 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -46.75 -29.47 1.93 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.54 -0.725 . . . . 0.0 110.149 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 44' ' ' LEU . 1.5 mt -78.09 -30.27 49.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.184 -0.947 . . . . 0.0 110.231 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -54.03 39.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.247 -0.908 . . . . 0.0 110.195 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.206 -0.934 . . . . 0.0 110.142 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.28 0.562 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.44 -27.4 47.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.208 -0.932 . . . . 0.0 110.194 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -78.7 -25.36 44.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.185 -0.947 . . . . 0.0 109.689 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 58' ' ' TYR . 12.4 t -76.65 -35.66 57.86 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.281 -0.887 . . . . 0.0 109.69 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.25 -39.01 49.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.835 . . . . 0.0 109.993 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.53 -42.61 82.45 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.238 -0.914 . . . . 0.0 110.052 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -76.79 -25.58 53.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.337 -0.852 . . . . 0.0 110.113 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.481 ' HB3' ' O ' ' A' ' 54' ' ' SER . 36.2 t80 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.201 -0.937 . . . . 0.0 110.188 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 20' ' ' MET . 3.1 m . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.202 0.525 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -41.72 98.79 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.174 -0.954 . . . . 0.0 109.828 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -43.26 62.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.278 -0.889 . . . . 0.0 109.873 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -43.17 99.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 109.943 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.468 ' HB2' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -62.73 -44.03 97.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.913 . . . . 0.0 109.437 179.5 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -56.2 -39.13 71.95 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.345 -0.847 . . . . 0.0 110.004 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.7 mm -66.32 -55.42 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 110.164 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 3.2 m-20 -57.84 -27.2 62.98 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 0.0 110.157 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.411 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -73.65 -40.71 63.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.265 -0.897 . . . . 0.0 110.132 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 1.8 ttpm? -64.97 -40.98 95.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.252 -0.905 . . . . 0.0 110.089 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' TRP . 22.5 tptt -69.65 -62.75 1.26 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.27 -0.894 . . . . 0.0 110.083 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.459 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -42.38 -54.51 3.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.322 -0.861 . . . . 0.0 110.184 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.435 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -60.01 -35.47 75.12 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 110.053 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 1.4 tm0? -55.92 -61.54 2.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.21 -0.931 . . . . 0.0 109.831 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -58.32 -27.74 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.316 -0.865 . . . . 0.0 109.739 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.799 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.0 t80 -68.7 -51.22 43.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -0.826 . . . . 0.0 109.938 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.15 -41.19 78.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 110.106 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -65.3 -60.71 2.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.229 -0.919 . . . . 0.0 110.187 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.1 t -53.35 -53.54 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.248 -0.908 . . . . 0.0 110.186 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 31' ' ' PHE . 38.9 t -55.5 -38.71 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.892 . . . . 0.0 110.039 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 33' ' ' THR . 13.6 m-20 -59.33 -49.0 79.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.219 -0.925 . . . . 0.0 109.821 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.565 ' CE1' HD11 ' A' ' 41' ' ' ILE . 16.9 t80 -55.16 -44.86 75.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.244 -0.91 . . . . 0.0 109.711 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.1 t -56.77 -46.59 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.308 -0.87 . . . . 0.0 109.897 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.53 -42.56 78.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -0.913 . . . . 0.0 109.697 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.485 ' O ' HD23 ' A' ' 44' ' ' LEU . 4.6 tt0 -57.62 -41.12 80.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.446 -0.784 . . . . 0.0 109.613 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 37' ' ' TYR . 18.2 mm -60.41 -47.57 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 0.0 109.678 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.5 mm -52.16 -50.07 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.289 -0.882 . . . . 0.0 109.705 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -53.35 -50.0 65.95 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.265 -0.897 . . . . 0.0 109.701 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 40' ' ' GLN . 3.0 mm? -53.91 -44.31 70.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.367 -0.833 . . . . 0.0 110.197 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.93 -53.84 29.38 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.874 . . . . 0.0 110.199 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.228 -0.92 . . . . 0.0 110.217 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 53' ' ' ASN . 78.9 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.245 0.545 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' SER . 6.2 mt -43.31 -26.63 0.19 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 0.0 110.069 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 2.0 m120 -64.93 -60.02 3.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.33 -0.856 . . . . 0.0 109.845 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 t -55.2 -32.82 62.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.358 -0.839 . . . . 0.0 109.86 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.46 -42.79 82.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.259 -0.9 . . . . 0.0 110.041 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.78 96.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.233 -0.917 . . . . 0.0 110.085 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.435 ' C ' ' CD1' ' A' ' 57' ' ' PHE . 11.0 t80 -69.84 -25.29 63.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.273 -0.892 . . . . 0.0 110.13 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.3 t80 . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.27 -0.893 . . . . 0.0 110.193 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.193 0.521 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -46.8 82.92 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.171 -0.955 . . . . 0.0 110.055 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' O ' HG12 ' A' ' 22' ' ' ILE . 22.8 ttt-85 -67.65 -35.82 79.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.307 -0.871 . . . . 0.0 109.957 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.9 ttt -63.49 -51.38 65.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.864 . . . . 0.0 109.763 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.6 mmt -57.64 -40.28 78.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.412 -0.805 . . . . 0.0 109.483 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -57.57 -42.48 83.17 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.487 -0.758 . . . . 0.0 110.087 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 18' ' ' ARG . 36.0 mm -69.65 -44.82 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.313 -0.867 . . . . 0.0 110.143 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.467 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 8.1 m-20 -58.95 -29.19 66.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.25 -0.906 . . . . 0.0 110.179 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -76.73 -46.06 26.87 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.246 -0.909 . . . . 0.0 110.162 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -61.02 -40.7 94.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.233 -0.917 . . . . 0.0 110.12 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -68.78 -59.97 2.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.286 -0.884 . . . . 0.0 110.136 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.467 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -42.25 -44.5 3.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.256 -0.903 . . . . 0.0 110.253 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -38.56 83.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.257 -0.902 . . . . 0.0 110.089 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 26' ' ' LYS . 2.1 mt-30 -57.55 -63.08 1.36 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.195 -0.94 . . . . 0.0 109.856 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.763 ' O ' HG23 ' A' ' 34' ' ' VAL . 21.2 t -57.44 -29.42 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 0.0 109.718 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.977 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.9 t80 -66.78 -52.06 48.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.403 -0.81 . . . . 0.0 109.908 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.401 ' O ' ' OD2' ' A' ' 36' ' ' ASP . 0.4 OUTLIER -55.56 -43.72 76.16 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.205 -0.935 . . . . 0.0 110.04 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -67.77 -41.11 83.8 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.346 -0.846 . . . . 0.0 110.108 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 30' ' ' VAL . 56.8 t -64.37 -46.58 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.939 . . . . 0.0 110.157 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.977 HG23 ' O ' ' A' ' 31' ' ' PHE . 12.0 t -58.7 -41.94 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.193 -0.942 . . . . 0.0 109.953 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 32' ' ' TYR . 2.0 m-20 -58.7 -49.08 78.91 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.244 -0.91 . . . . 0.0 109.893 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.96 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 37.9 t80 -54.74 -41.42 70.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.275 -0.89 . . . . 0.0 109.84 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 34' ' ' VAL . 88.2 t -64.82 -49.6 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.899 . . . . 0.0 109.918 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -28.25 41.1 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.231 -0.918 . . . . 0.0 109.696 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.729 HE22 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -72.15 -58.48 3.39 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.387 -0.82 . . . . 0.0 109.918 179.816 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.96 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 61.9 mt -61.91 -24.74 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.174 -0.954 . . . . 0.0 109.784 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -68.98 -51.35 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.453 -0.779 . . . . 0.0 109.904 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -62.22 -35.26 78.35 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.287 -0.883 . . . . 0.0 109.971 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.729 HD12 HE22 ' A' ' 40' ' ' GLN . 4.7 mt -70.8 -35.38 72.51 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.31 -0.869 . . . . 0.0 110.141 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -54.21 48.01 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 0.0 110.227 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 110.154 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.418 0.628 . . . . 0.0 109.912 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.705 ' C ' HD12 ' A' ' 52' ' ' LEU . 3.7 pp -80.58 -25.92 38.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.325 -0.859 . . . . 0.0 110.444 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.564 ' ND2' ' N ' ' A' ' 54' ' ' SER . 0.4 OUTLIER -80.04 -36.11 36.23 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.976 -1.078 . . . . 0.0 109.126 179.584 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.564 ' N ' ' ND2' ' A' ' 53' ' ' ASN . 20.3 t -74.79 -37.01 62.51 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.361 -0.837 . . . . 0.0 109.433 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.58 -34.71 67.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.325 -0.86 . . . . 0.0 109.871 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.68 -46.75 68.25 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.214 -0.929 . . . . 0.0 110.028 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -69.13 -27.51 65.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.238 -0.914 . . . . 0.0 110.002 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.3 t80 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.29 -0.881 . . . . 0.0 110.167 179.926 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.209 0.528 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.16 -47.6 85.44 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.194 -0.941 . . . . 0.0 110.008 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.472 ' O ' HG12 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -69.19 -42.89 75.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.33 -0.856 . . . . 0.0 110.062 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -41.4 90.28 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.26 -0.9 . . . . 0.0 109.99 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.6 mtt -63.53 -47.02 83.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.0 109.411 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -54.55 -35.97 63.82 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.456 -0.777 . . . . 0.0 110.056 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 18' ' ' ARG . 17.1 mm -68.37 -50.78 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 0.0 110.189 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -55.68 -29.51 59.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.903 . . . . 0.0 110.209 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -43.84 52.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.201 -0.937 . . . . 0.0 110.148 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 1.1 tttt -60.28 -40.19 89.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 0.0 110.142 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.73 -58.73 3.79 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.271 -0.893 . . . . 0.0 110.191 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' LYS . 41.5 t-105 -42.41 -46.91 4.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.318 -0.864 . . . . 0.0 110.349 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -38.88 87.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.212 -0.93 . . . . 0.0 110.245 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 3.5 mt-30 -54.85 -60.24 3.63 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.148 -0.97 . . . . 0.0 109.93 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 34' ' ' VAL . 84.2 t -60.66 -29.17 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.238 -0.914 . . . . 0.0 109.82 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.882 ' O ' HG23 ' A' ' 35' ' ' VAL . 13.6 t80 -66.41 -51.26 58.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.368 -0.832 . . . . 0.0 110.022 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.455 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 10.6 t80 -59.12 -41.38 88.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.226 -0.921 . . . . 0.0 110.242 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.48 -49.0 63.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.244 -0.91 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 30' ' ' VAL . 55.6 t -61.32 -50.46 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.926 . . . . 0.0 110.209 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 31' ' ' PHE . 22.2 t -59.19 -36.05 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.226 -0.921 . . . . 0.0 110.066 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 32' ' ' TYR . 1.7 m-20 -62.77 -46.39 88.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.272 -0.892 . . . . 0.0 109.913 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 1.085 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 15.6 t80 -59.46 -41.77 90.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.314 -0.867 . . . . 0.0 109.877 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.43 -43.41 94.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.307 -0.871 . . . . 0.0 110.081 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -60.75 -35.63 76.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 0.0 109.9 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 22.1 mm100 -65.79 -48.04 73.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.379 -0.825 . . . . 0.0 110.002 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 1.085 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 61.9 mt -62.47 -54.2 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.24 -0.912 . . . . 0.0 109.956 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 45' ' ' MET . 5.3 mt -47.79 -67.75 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.279 -0.888 . . . . 0.0 109.584 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -45.66 -33.39 2.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.404 -0.81 . . . . 0.0 110.131 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.474 ' HA ' HD23 ' A' ' 44' ' ' LEU . 1.1 mt -72.92 -28.97 62.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.244 -0.91 . . . . 0.0 110.123 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -67.65 -53.93 23.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.306 -0.871 . . . . 0.0 110.197 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.287 -0.883 . . . . 0.0 110.238 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.6 p . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.471 0.653 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.886 HD13 ' O ' ' A' ' 52' ' ' LEU . 3.1 tm? -75.08 -34.39 61.77 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.417 -0.802 . . . . 0.0 110.019 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.543 ' OD1' ' N ' ' A' ' 54' ' ' SER . 37.1 p30 -75.72 -18.09 59.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.116 -0.99 . . . . 0.0 109.435 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.543 ' N ' ' OD1' ' A' ' 53' ' ' ASN . 32.1 t -82.39 -44.65 15.86 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.437 -0.789 . . . . 0.0 109.192 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.83 -34.3 76.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.408 -0.808 . . . . 0.0 109.661 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.41 -55.91 6.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.29 -0.881 . . . . 0.0 109.933 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 53' ' ' ASN . 2.2 m-85 -56.41 -28.01 58.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 0.0 109.853 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 77.4 t80 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.321 -0.862 . . . . 0.0 110.155 179.833 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.56 HG23 ' N ' ' A' ' 17' ' ' GLU . 7.1 t . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.179 0.514 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.56 ' N ' HG23 ' A' ' 16' ' ' THR . 0.2 OUTLIER -48.08 -49.47 31.53 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.216 -0.928 . . . . 0.0 110.274 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 6.5 tpt180 -65.05 -41.61 95.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.289 -0.882 . . . . 0.0 110.196 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.486 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -60.8 -47.63 85.47 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.176 -0.953 . . . . 0.0 109.813 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.417 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 28.4 mmt -60.67 -33.65 73.15 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.238 -0.914 . . . . 0.0 109.466 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 8.5 ttm180 -61.92 -45.81 92.07 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.438 -0.789 . . . . 0.0 110.398 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 19' ' ' MET . 0.2 OUTLIER -69.18 -40.74 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.136 -0.978 . . . . 0.0 110.183 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.48 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 16.1 m-80 -68.56 -28.17 66.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.275 -0.89 . . . . 0.0 110.184 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.477 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 9.2 t90 -74.16 -42.87 59.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.307 -0.87 . . . . 0.0 110.063 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -65.32 -41.09 94.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.331 -0.855 . . . . 0.0 110.123 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' TRP . 69.8 tttt -68.09 -64.04 0.94 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.272 -0.893 . . . . 0.0 110.163 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.48 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -42.28 -51.64 4.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.296 -0.877 . . . . 0.0 110.321 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.477 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -61.01 -35.06 75.85 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.186 -0.946 . . . . 0.0 110.103 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -66.07 0.59 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.2 -0.937 . . . . 0.0 109.912 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.553 ' O ' HG23 ' A' ' 34' ' ' VAL . 45.1 t -60.97 -22.12 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.295 -0.878 . . . . 0.0 109.816 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.787 ' O ' HG23 ' A' ' 35' ' ' VAL . 20.9 t80 -72.78 -51.24 19.82 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.405 -0.809 . . . . 0.0 109.988 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -40.86 92.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.173 -0.955 . . . . 0.0 110.155 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -49.83 30.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.282 -0.887 . . . . 0.0 110.209 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 30' ' ' VAL . 52.9 t -59.52 -52.55 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.235 -0.915 . . . . 0.0 110.22 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 31' ' ' PHE . 32.0 t -58.23 -38.15 66.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.199 -0.938 . . . . 0.0 110.046 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -60.49 -44.8 95.57 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.246 -0.909 . . . . 0.0 109.994 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.981 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 15.1 t80 -61.39 -45.42 94.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.219 -0.926 . . . . 0.0 109.904 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.43 -38.84 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.26 -0.9 . . . . 0.0 109.966 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -60.13 -38.53 83.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.283 -0.886 . . . . 0.0 109.816 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 1.4 tt0 -65.76 -52.02 54.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.488 -0.758 . . . . 0.0 109.966 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.981 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 55.0 mt -61.52 -52.27 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.285 -0.884 . . . . 0.0 109.968 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 43' ' ' GLN . 7.5 mt -47.78 -69.53 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.434 ' N ' HG22 ' A' ' 42' ' ' ILE . 10.8 tt0 -45.53 -32.51 2.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.402 -0.811 . . . . 0.0 110.097 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 44' ' ' LEU . 1.2 mt -72.73 -29.0 62.98 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.243 -0.911 . . . . 0.0 110.164 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 1.032 ' CE ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -72.94 -53.98 9.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.326 -0.859 . . . . 0.0 110.17 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.201 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.238 0.542 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.032 HD23 ' CE ' ' A' ' 45' ' ' MET . 29.1 tp -54.45 -32.71 58.19 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.247 -0.908 . . . . 0.0 110.151 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -74.16 -25.64 59.85 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.21 -0.931 . . . . 0.0 109.575 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' ' 58' ' ' TYR . 3.1 t -73.83 -39.32 64.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.335 -0.853 . . . . 0.0 109.762 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.99 -40.21 68.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.324 -0.86 . . . . 0.0 109.974 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.95 -35.47 80.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.264 -0.898 . . . . 0.0 110.094 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -78.98 -24.4 43.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 110.135 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.481 ' HB2' ' O ' ' A' ' 54' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.273 -0.892 . . . . 0.0 110.182 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.157 0.503 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.06 -46.99 84.88 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.189 -0.944 . . . . 0.0 109.988 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.487 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -66.84 -38.89 87.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 0.0 109.862 179.797 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.2 ttp -63.03 -51.39 66.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.288 -0.882 . . . . 0.0 109.595 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.21 -42.42 86.19 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.429 -0.795 . . . . 0.0 109.232 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -54.52 -40.98 69.14 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.459 -0.776 . . . . 0.0 109.866 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.523 ' HA ' ' HG2' ' A' ' 25' ' ' LYS . 5.7 mt -65.46 -58.57 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.899 . . . . 0.0 109.894 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 22' ' ' ILE . 5.6 m-20 -43.77 -34.57 1.59 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.183 -0.948 . . . . 0.0 109.774 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.517 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -72.53 -40.48 66.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.386 -0.822 . . . . 0.0 109.98 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HG2' ' HA ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -64.99 -21.75 66.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.926 . . . . 0.0 109.862 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.511 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 26.3 tttm -83.19 -64.99 1.06 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.371 -0.831 . . . . 0.0 109.806 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.435 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -45.3 -38.88 6.04 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.274 -0.891 . . . . 0.0 109.91 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.443 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -73.58 -47.11 42.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.346 -0.846 . . . . 0.0 110.146 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -49.17 -54.07 18.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.193 -0.942 . . . . 0.0 110.001 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -70.78 -27.81 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.272 -0.893 . . . . 0.0 110.013 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CE1' HG21 ' A' ' 35' ' ' VAL . 8.4 t80 -65.62 -44.68 85.75 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.325 -0.859 . . . . 0.0 110.172 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 4.2 t80 -75.89 -32.64 59.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.234 -0.916 . . . . 0.0 110.606 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -75.65 -45.79 35.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.161 -0.962 . . . . 0.0 110.504 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.1 t -67.74 -48.63 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.103 -0.998 . . . . 0.0 110.023 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.573 HG21 ' CE1' ' A' ' 31' ' ' PHE . 24.2 t -64.79 -32.64 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.262 -0.899 . . . . 0.0 110.01 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 32' ' ' TYR . 5.0 m-20 -65.52 -42.39 92.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.162 -0.961 . . . . 0.0 109.537 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.536 ' CE1' HD11 ' A' ' 41' ' ' ILE . 8.1 t80 -61.99 -48.05 82.06 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.272 -0.893 . . . . 0.0 109.567 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.3 t -59.01 -39.83 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.286 -0.884 . . . . 0.0 109.857 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -60.07 -39.7 86.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.236 -0.915 . . . . 0.0 109.803 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.79 -39.83 94.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.455 -0.778 . . . . 0.0 109.882 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.536 HD11 ' CE1' ' A' ' 37' ' ' TYR . 20.8 mm -58.67 -57.58 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.203 -0.935 . . . . 0.0 109.232 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.486 ' HA ' ' CG ' ' A' ' 45' ' ' MET . 4.9 mt -46.64 -59.86 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.474 -0.766 . . . . 0.0 109.176 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 42' ' ' ILE . 4.6 tt0 -40.99 -40.19 1.36 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.642 -0.661 . . . . 0.0 109.699 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.494 ' HA ' HD23 ' A' ' 44' ' ' LEU . 5.3 mt -75.48 -35.22 60.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.321 -0.862 . . . . 0.0 109.796 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 25.0 mtp -47.72 -46.82 30.05 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.423 -0.798 . . . . 0.0 110.192 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.334 -0.854 . . . . 0.0 110.212 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.217 0.532 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -51.03 -34.07 27.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.277 -0.889 . . . . 0.0 110.199 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 57' ' ' PHE . 50.8 t-20 -71.66 -25.35 62.09 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.27 -0.894 . . . . 0.0 109.663 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -43.31 55.41 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.316 -0.865 . . . . 0.0 109.699 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.25 81.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.317 -0.864 . . . . 0.0 109.97 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.27 -22.56 32.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.276 -0.89 . . . . 0.0 110.114 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 53' ' ' ASN . 47.4 t80 -96.81 -3.9 41.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.136 -0.978 . . . . 0.0 110.472 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.7 t80 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.08 -1.012 . . . . 0.0 110.645 -179.701 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 20' ' ' MET . 3.0 m . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.096 0.474 . . . . 0.0 110.102 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -43.03 86.7 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.138 -0.976 . . . . 0.0 109.654 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.479 ' O ' HD13 ' A' ' 22' ' ' ILE . 14.5 tpt180 -69.86 -42.58 73.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.325 -0.859 . . . . 0.0 109.734 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.0 ttt -61.92 -49.93 74.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.302 -0.874 . . . . 0.0 109.585 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 16' ' ' THR . 0.7 OUTLIER -57.28 -39.6 76.01 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.42 -0.8 . . . . 0.0 109.272 179.506 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 17.6 tpp180 -56.65 -46.6 80.97 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.461 -0.774 . . . . 0.0 110.072 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.569 ' CD1' ' N ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -68.87 -50.84 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.273 -0.892 . . . . 0.0 109.79 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.474 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 9.4 m-80 -56.31 -26.75 53.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 0.0 110.038 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.483 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -75.82 -45.92 33.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.899 . . . . 0.0 110.035 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -57.89 -40.19 79.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 0.0 110.154 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 12.4 mmtt -72.24 -64.51 0.93 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.224 -0.922 . . . . 0.0 110.207 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.584 ' HA ' ' CE3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -42.3 -48.74 5.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.24 -0.913 . . . . 0.0 110.396 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.483 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -63.36 -40.63 97.8 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.207 -0.933 . . . . 0.0 110.186 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -53.41 -59.24 4.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.11 -0.994 . . . . 0.0 109.814 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 34' ' ' VAL . 17.5 t -59.87 -28.07 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.323 -0.861 . . . . 0.0 109.79 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.881 ' O ' HG23 ' A' ' 35' ' ' VAL . 11.1 t80 -68.44 -51.43 43.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.408 -0.808 . . . . 0.0 109.973 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -57.16 -42.9 81.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.251 -0.905 . . . . 0.0 110.096 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.4 m -69.92 -44.1 70.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.258 -0.901 . . . . 0.0 110.225 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 30' ' ' VAL . 54.4 t -61.99 -51.55 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 110.133 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 31' ' ' PHE . 18.8 t -56.97 -40.04 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.209 -0.932 . . . . 0.0 109.981 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -59.08 -48.12 82.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.27 -0.893 . . . . 0.0 109.797 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.716 ' CE1' HD11 ' A' ' 41' ' ' ILE . 14.3 t80 -55.41 -44.96 76.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.907 . . . . 0.0 109.719 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -55.74 -45.67 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.293 -0.879 . . . . 0.0 109.935 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -41.79 79.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.241 -0.912 . . . . 0.0 109.743 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 90.3 mm-40 -60.2 -38.37 83.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.456 -0.777 . . . . 0.0 109.878 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.716 HD11 ' CE1' ' A' ' 37' ' ' TYR . 21.3 mm -62.38 -55.5 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.287 -0.883 . . . . 0.0 109.723 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.0 mt -48.91 -65.82 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.299 -0.876 . . . . 0.0 109.504 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -46.5 -32.33 3.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.526 -0.734 . . . . 0.0 110.097 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.48 ' HA ' HD23 ' A' ' 44' ' ' LEU . 1.3 mt -74.55 -29.18 61.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.202 -0.936 . . . . 0.0 110.151 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.5 tpt -68.77 -48.23 64.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.247 -0.908 . . . . 0.0 110.078 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.883 . . . . 0.0 110.331 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.503 ' OG ' ' N ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.248 0.546 . . . . 0.0 110.258 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.514 ' CD1' ' N ' ' A' ' 52' ' ' LEU . 5.8 mp -45.48 -28.63 0.94 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.213 -0.93 . . . . 0.0 109.929 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -58.6 -66.26 0.52 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.297 -0.877 . . . . 0.0 109.84 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -38.47 53.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.335 -0.853 . . . . 0.0 109.845 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.16 95.59 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.282 -0.886 . . . . 0.0 109.969 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.78 -21.75 51.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.284 -0.885 . . . . 0.0 110.085 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.52 -7.2 44.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.22 -0.925 . . . . 0.0 110.38 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.6 t80 . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.174 -0.954 . . . . 0.0 110.584 -179.78 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.402 ' O ' ' HE2' ' A' ' 20' ' ' MET . 3.0 m . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.176 0.512 . . . . 0.0 110.113 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' OE2' ' HE1' ' A' ' 20' ' ' MET . 0.3 OUTLIER -60.29 -49.05 79.14 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 121.103 -0.998 . . . . 0.0 109.975 179.757 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 ttm-85 -69.82 -39.59 76.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.365 -0.834 . . . . 0.0 110.001 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 tpp -60.31 -40.32 90.11 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.288 -0.883 . . . . 0.0 110.029 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.471 ' HE1' ' OE2' ' A' ' 17' ' ' GLU . 5.0 mtm -66.16 -50.18 64.83 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.19 -0.944 . . . . 0.0 109.461 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -58.17 -29.35 65.54 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.418 -0.801 . . . . 0.0 110.068 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.1 mm -79.12 -37.76 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 110.199 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -64.12 -33.99 77.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.177 -0.952 . . . . 0.0 110.143 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.522 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -79.16 -49.92 11.81 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.194 -0.941 . . . . 0.0 110.035 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 18.0 tttt -62.74 -32.06 73.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.333 -0.854 . . . . 0.0 110.129 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' TRP . 8.6 tttp -77.62 -61.27 2.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.862 . . . . 0.0 110.109 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.468 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 8.0 t-105 -42.24 -49.06 5.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.42 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -70.09 -44.82 68.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.161 -0.962 . . . . 0.0 110.264 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -54.14 -59.73 4.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.201 -0.937 . . . . 0.0 109.976 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.766 ' O ' HG23 ' A' ' 34' ' ' VAL . 93.5 t -62.24 -27.02 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.225 -0.922 . . . . 0.0 109.798 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.787 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.3 t80 -67.78 -52.18 40.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.39 -0.819 . . . . 0.0 109.981 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -40.47 90.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.237 -0.914 . . . . 0.0 110.223 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -43.14 70.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.279 -0.888 . . . . 0.0 110.221 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 30' ' ' VAL . 50.2 t -60.09 -52.27 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.253 -0.905 . . . . 0.0 110.184 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 31' ' ' PHE . 9.7 t -60.65 -43.84 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 110.046 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 50.3 m-20 -62.16 -39.5 92.86 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.192 -0.943 . . . . 0.0 109.805 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.882 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 15.9 t80 -60.51 -40.51 91.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.33 -0.856 . . . . 0.0 109.857 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 34' ' ' VAL . 48.2 t -67.93 -48.68 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.253 -0.904 . . . . 0.0 109.886 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -57.11 -26.42 60.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.15 -0.968 . . . . 0.0 109.559 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.487 ' O ' HD23 ' A' ' 44' ' ' LEU . 26.0 mm100 -73.12 -57.48 3.99 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.383 -0.823 . . . . 0.0 109.939 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.882 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 60.6 mt -61.98 -30.88 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.196 -0.94 . . . . 0.0 109.526 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.34 -55.31 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.475 -0.766 . . . . 0.0 109.647 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -54.53 -42.95 71.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.293 -0.879 . . . . 0.0 109.629 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 3.1 mm? -62.98 -46.08 89.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.345 -0.847 . . . . 0.0 110.289 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -58.8 6.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.287 -0.883 . . . . 0.0 110.238 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 m . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 110.183 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.303 0.573 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 52' ' ' LEU . 49.5 mt -60.19 -27.58 67.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.214 -0.929 . . . . 0.0 110.066 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -78.43 -25.53 46.02 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.242 -0.911 . . . . 0.0 109.601 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 58' ' ' TYR . 46.2 t -76.2 -36.5 58.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.311 -0.868 . . . . 0.0 109.656 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.06 -39.33 55.72 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.29 -0.881 . . . . 0.0 109.921 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.83 -40.77 88.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.0 110.026 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -77.81 -24.7 48.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.863 . . . . 0.0 110.119 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 54' ' ' SER . 28.4 t80 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 110.192 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.55 ' CG2' ' N ' ' A' ' 17' ' ' GLU . 2.9 t . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.275 0.559 . . . . 0.0 110.12 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.55 ' N ' ' CG2' ' A' ' 16' ' ' THR . 0.8 OUTLIER -52.82 -44.97 67.05 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.243 -0.91 . . . . 0.0 110.267 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -69.56 -40.96 76.48 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.299 -0.876 . . . . 0.0 110.035 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -44.15 97.4 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.231 -0.918 . . . . 0.0 109.859 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 16' ' ' THR . 5.3 mtt -61.32 -44.25 97.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.24 -0.912 . . . . 0.0 109.427 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -55.16 -41.57 72.01 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.376 -0.827 . . . . 0.0 110.04 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' A' ' 22' ' ' ILE . 15.9 mm -64.54 -52.53 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.24 -0.912 . . . . 0.0 110.11 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.475 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 14.1 m-80 -58.9 -20.1 48.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.925 . . . . 0.0 110.051 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -78.08 -47.63 17.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.297 -0.877 . . . . 0.0 110.138 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -42.02 99.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.249 -0.907 . . . . 0.0 110.069 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' TRP . 3.6 tptm -68.32 -61.21 1.94 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.269 -0.895 . . . . 0.0 110.002 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.475 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 8.5 t90 -42.63 -40.84 2.87 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.299 -0.876 . . . . 0.0 110.141 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.465 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -65.47 -46.41 79.92 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.323 -0.861 . . . . 0.0 110.092 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.25 -61.76 2.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 109.747 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 34' ' ' VAL . 15.9 t -59.2 -27.73 37.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.335 -0.853 . . . . 0.0 109.736 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.009 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.8 t80 -67.01 -52.77 38.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.384 -0.822 . . . . 0.0 109.872 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -56.24 -43.46 78.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.164 -0.96 . . . . 0.0 109.992 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 66.5 m -67.77 -44.55 77.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.29 -0.881 . . . . 0.0 110.119 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 30' ' ' VAL . 54.5 t -61.77 -46.28 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.241 -0.912 . . . . 0.0 110.072 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.009 HG23 ' O ' ' A' ' 31' ' ' PHE . 20.8 t -56.92 -44.6 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.205 -0.934 . . . . 0.0 109.857 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.27 -51.3 68.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.0 109.789 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.682 ' CE1' HD11 ' A' ' 41' ' ' ILE . 10.7 t80 -55.35 -44.86 76.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.912 . . . . 0.0 109.578 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' O ' HG12 ' A' ' 42' ' ' ILE . 66.3 t -56.66 -45.08 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.338 -0.851 . . . . 0.0 109.863 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -55.95 -42.62 76.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.23 -0.919 . . . . 0.0 109.668 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -60.1 -39.41 86.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.471 -0.768 . . . . 0.0 109.726 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.682 HD11 ' CE1' ' A' ' 37' ' ' TYR . 20.9 mm -62.07 -40.14 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.328 -0.857 . . . . 0.0 109.87 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 38' ' ' VAL . 22.8 mm -61.51 -47.14 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.362 -0.836 . . . . 0.0 109.958 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -59.81 -36.13 76.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.296 -0.878 . . . . 0.0 110.166 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 44' ' ' LEU . 6.4 mt -74.0 -43.36 58.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.222 -0.924 . . . . 0.0 110.23 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -49.01 -43.89 40.76 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.225 -0.922 . . . . 0.0 110.15 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' MET . 13.1 t . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.288 -0.882 . . . . 0.0 110.19 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.272 0.558 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.1 mt -54.88 -28.43 50.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.929 . . . . 0.0 110.21 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -78.69 -25.97 44.87 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.175 -0.953 . . . . 0.0 109.64 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 58' ' ' TYR . 20.1 t -75.75 -32.58 60.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.325 -0.859 . . . . 0.0 109.676 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.96 -42.31 27.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.331 -0.856 . . . . 0.0 109.955 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.27 -36.8 83.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 0.0 110.07 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -83.68 -23.75 31.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 0.0 110.151 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.489 ' CB ' ' O ' ' A' ' 54' ' ' SER . 68.7 t80 . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.889 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.51 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 14.1 t . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.252 0.548 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.51 ' N ' ' OG ' ' A' ' 1' ' ' SER . 0.3 OUTLIER 172.28 144.29 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.255 -0.903 . . . . 0.0 110.228 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.476 HG12 ' O ' ' A' ' 3' ' ' VAL . 94.4 t -88.98 -1.9 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.242 -0.911 . . . . 0.0 110.22 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 22.6 tp -101.14 59.13 0.89 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.204 -0.935 . . . . 0.0 110.197 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.513 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 2.4 p30 173.15 -58.79 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.247 -0.908 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.464 ' O ' ' HB ' ' A' ' 7' ' ' THR . 3.2 pt -47.76 92.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.199 -0.938 . . . . 0.0 110.187 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 5' ' ' ASP . 86.7 m 57.1 61.35 2.6 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.249 -0.907 . . . . 0.0 110.229 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.481 ' C ' ' CD ' ' A' ' 10' ' ' PRO . . . -60.24 -141.65 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.187 -0.946 . . . . 0.0 110.199 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.575 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 4.6 p-10 -119.3 46.85 0.85 Allowed Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 0.0 110.516 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 9' ' ' ASP . 45.7 Cg_endo -71.47 -54.17 0.16 Allowed 'Trans proline' 0 C--N 1.306 -1.705 0 O-C-N 123.847 1.446 . . . . 0.0 110.422 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.07 16.86 0.66 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.235 -0.916 . . . . 0.0 110.172 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 12' ' ' THR . 4.5 m -79.74 1.04 28.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.0 110.219 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 12' ' ' THR . . . 43.29 60.91 10.48 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.238 -0.914 . . . . 0.0 110.273 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.477 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 46.0 Cg_endo -71.09 -53.79 0.18 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 O-C-N 123.973 1.512 . . . . 0.0 110.169 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -48.58 -48.16 39.11 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.242 -0.911 . . . . 0.0 110.14 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -64.42 -28.29 69.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.241 -0.912 . . . . 0.0 110.027 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -60.71 -47.07 87.94 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.14 -0.975 . . . . 0.0 110.026 179.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 ttm-85 -69.02 -43.16 75.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.366 -0.834 . . . . 0.0 109.964 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -43.28 95.97 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.238 -0.914 . . . . 0.0 109.938 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -44.22 97.61 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.221 -0.924 . . . . 0.0 109.308 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.526 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 2.0 ttt85 -54.17 -43.65 70.82 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.421 -0.799 . . . . 0.0 109.958 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.503 ' HA ' ' HG3' ' A' ' 25' ' ' LYS . 40.0 mm -65.4 -35.65 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.287 -0.883 . . . . 0.0 110.077 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -62.85 -42.49 99.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.277 -0.889 . . . . 0.0 110.156 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.46 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 1.4 t90 -68.21 -35.5 78.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 109.764 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 21' ' ' ARG . 1.4 mmtm -59.41 -53.63 56.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.363 -0.836 . . . . 0.0 110.117 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' TRP . 2.5 mmtp -65.3 -58.18 6.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.268 -0.895 . . . . 0.0 110.05 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.479 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 6.2 t-105 -42.33 -39.35 2.11 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.327 -0.858 . . . . 0.0 110.244 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.46 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -69.66 -43.63 72.16 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.247 -0.908 . . . . 0.0 110.057 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.82 -61.65 2.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.229 -0.92 . . . . 0.0 109.785 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.757 ' O ' HG23 ' A' ' 34' ' ' VAL . 63.5 t -59.06 -27.77 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.892 . . . . 0.0 109.693 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.995 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.7 t80 -67.52 -52.28 40.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.374 -0.829 . . . . 0.0 109.827 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -56.31 -43.3 78.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.238 -0.914 . . . . 0.0 110.02 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -43.12 76.58 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.236 -0.915 . . . . 0.0 110.154 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 30' ' ' VAL . 53.8 t -62.5 -46.6 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.223 -0.923 . . . . 0.0 110.101 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.995 HG23 ' O ' ' A' ' 31' ' ' PHE . 16.4 t -58.8 -43.71 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 109.919 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -56.48 -47.66 78.77 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.229 -0.92 . . . . 0.0 109.803 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.566 ' CE1' HD11 ' A' ' 41' ' ' ILE . 18.6 t80 -54.88 -46.62 74.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.257 -0.902 . . . . 0.0 109.775 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.3 t -55.67 -46.54 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.256 -0.902 . . . . 0.0 109.912 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -54.06 -43.92 70.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.27 -0.894 . . . . 0.0 109.661 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -59.13 -39.69 83.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.52 -0.738 . . . . 0.0 109.785 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.566 HD11 ' CE1' ' A' ' 37' ' ' TYR . 18.6 mm -63.56 -56.39 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 0.0 109.674 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 45' ' ' MET . 7.2 mt -46.2 -67.42 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.325 -0.859 . . . . 0.0 109.408 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.471 ' O ' ' HB3' ' A' ' 47' ' ' LYS . 5.7 tt0 -44.16 -37.54 3.2 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.423 -0.798 . . . . 0.0 109.796 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.798 HD23 ' HD2' ' A' ' 47' ' ' LYS . 1.4 mt -68.53 -29.85 68.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.347 -0.846 . . . . 0.0 110.021 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' ILE . 1.2 ttt -83.88 -33.57 24.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.861 . . . . 0.0 110.207 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.4 t -87.94 -10.03 51.8 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.304 -0.873 . . . . 0.0 110.462 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.798 ' HD2' HD23 ' A' ' 44' ' ' LEU . 4.2 ptmt -59.67 -13.93 11.82 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.144 -0.972 . . . . 0.0 110.271 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.525 ' CD ' ' O ' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -86.95 37.78 0.78 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.294 -0.879 . . . . 0.0 110.22 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 p -85.93 -48.7 8.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.253 -0.904 . . . . 0.0 110.204 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.495 ' HG2' ' CB ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -140.01 40.49 1.96 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.247 -0.908 . . . . 0.0 110.228 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 79.6 p -61.13 -56.38 21.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.276 -0.89 . . . . 0.0 110.192 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.5 tp -55.22 -28.74 55.31 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.21 -0.931 . . . . 0.0 110.188 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.495 ' CB ' ' HG2' ' A' ' 50' ' ' ARG . 22.9 t-20 -78.18 -25.71 47.31 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.28 -0.887 . . . . 0.0 109.595 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 58' ' ' TYR . 8.1 t -75.3 -35.21 61.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.331 -0.855 . . . . 0.0 109.73 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -77.38 -40.87 42.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.332 -0.855 . . . . 0.0 109.972 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 60' ' ' ARG . . . -65.95 -38.44 88.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.284 -0.885 . . . . 0.0 110.097 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.483 ' HA ' ' HG3' ' A' ' 60' ' ' ARG . 6.4 m-85 -84.03 -20.62 32.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.237 -0.914 . . . . 0.0 110.177 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.491 ' CB ' ' O ' ' A' ' 54' ' ' SER . 49.2 t80 -94.4 -7.74 40.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.19 -0.944 . . . . 0.0 110.291 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.576 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 33.6 t80 -113.73 10.64 17.93 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.272 -0.892 . . . . 0.0 110.195 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -69.69 -5.52 25.51 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.097 -1.002 . . . . 0.0 110.232 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.45 ' OXT' ' O ' ' A' ' 60' ' ' ARG . 2.4 t . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 117.999 -1.0 . . . . 0.0 109.843 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.197 0.522 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.489 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 4.2 t70 -141.75 -159.66 0.99 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.235 -0.916 . . . . 0.0 109.803 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 3.4 t 65.86 7.44 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.303 -0.873 . . . . 0.0 110.4 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.85 HD12 ' O ' ' A' ' 4' ' ' LEU . 1.6 pp -94.34 59.05 2.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.184 -0.948 . . . . 0.0 110.237 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.669 ' OD2' HG23 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -163.39 -58.79 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.253 -0.904 . . . . 0.0 110.349 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.669 HG23 ' OD2' ' A' ' 5' ' ' ASP . 17.4 pt -69.29 -177.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.102 -0.999 . . . . 0.0 109.846 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 7' ' ' THR . 76.9 m 41.52 26.35 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.454 -0.779 . . . . 0.0 110.426 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.464 ' O ' ' OD1' ' A' ' 9' ' ' ASP . . . -146.92 -153.39 0.49 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.112 -0.992 . . . . 0.0 110.218 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.472 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 3.7 p-10 37.37 53.07 2.85 Favored Pre-proline 0 N--CA 1.493 1.718 0 O-C-N 121.584 -0.698 . . . . 0.0 110.799 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 9' ' ' ASP . 46.0 Cg_endo -73.53 -27.2 13.26 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 O-C-N 124.003 1.528 . . . . 0.0 110.381 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.78 25.77 0.33 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.245 -0.91 . . . . 0.0 110.194 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 12' ' ' THR . 4.7 m -87.46 1.13 54.34 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 0.0 110.228 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 12' ' ' THR . . . 42.32 59.64 10.09 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.27 -0.894 . . . . 0.0 110.344 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.449 ' HG3' ' HB2' ' A' ' 9' ' ' ASP . 46.7 Cg_endo -71.47 -45.17 0.86 Allowed 'Trans proline' 0 C--N 1.305 -1.726 0 O-C-N 123.932 1.491 . . . . 0.0 110.196 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.82 -58.47 4.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.267 -0.896 . . . . 0.0 110.23 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -65.08 -27.82 69.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.255 -0.903 . . . . 0.0 110.076 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CA ' ' OE1' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -60.64 -46.51 90.03 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.168 -0.958 . . . . 0.0 110.059 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.08 -42.81 68.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.336 -0.853 . . . . 0.0 110.099 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -38.87 89.61 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.242 -0.911 . . . . 0.0 110.059 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.2 mmt -65.14 -48.68 72.73 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.187 -0.946 . . . . 0.0 109.497 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.3 ttm-85 -55.83 -33.93 64.93 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.39 -0.818 . . . . 0.0 110.036 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 22' ' ' ILE . 16.1 mm -72.83 -36.53 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 0.0 110.226 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -68.09 -29.16 68.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.0 110.187 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.525 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -77.82 -47.43 18.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.239 -0.913 . . . . 0.0 110.125 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -58.97 -40.48 84.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.279 -0.888 . . . . 0.0 110.141 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' TRP . 1.2 tttt -73.67 -53.01 11.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 0.0 110.095 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' LYS . 45.0 t-105 -42.11 -51.64 4.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.277 -0.89 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.461 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -68.06 -43.11 79.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.237 -0.914 . . . . 0.0 110.181 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -55.18 -60.48 3.32 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.234 -0.916 . . . . 0.0 109.922 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.796 ' O ' HG23 ' A' ' 34' ' ' VAL . 92.8 t -59.58 -27.52 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.314 -0.866 . . . . 0.0 109.732 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.893 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.4 t80 -67.67 -52.33 39.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.366 -0.834 . . . . 0.0 109.955 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -57.46 -42.37 82.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.171 -0.956 . . . . 0.0 110.14 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 m -69.63 -42.68 74.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.294 -0.879 . . . . 0.0 110.205 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 30' ' ' VAL . 49.5 t -59.91 -48.87 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.22 -0.925 . . . . 0.0 110.176 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 31' ' ' PHE . 11.1 t -59.15 -46.6 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.205 -0.934 . . . . 0.0 109.978 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.94 -43.44 81.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.223 -0.923 . . . . 0.0 109.814 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.572 ' CE1' HD11 ' A' ' 41' ' ' ILE . 18.8 t80 -56.88 -45.51 82.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.305 -0.872 . . . . 0.0 109.807 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.94 -46.73 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.875 . . . . 0.0 109.941 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -54.95 -42.21 72.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.216 -0.927 . . . . 0.0 109.764 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -60.21 -40.71 91.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.411 -0.806 . . . . 0.0 109.892 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.572 HD11 ' CE1' ' A' ' 37' ' ' TYR . 18.5 mm -60.67 -53.21 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.884 . . . . 0.0 109.749 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.3 mt -50.1 -65.96 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.303 -0.873 . . . . 0.0 109.555 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -46.75 -29.47 1.93 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.54 -0.725 . . . . 0.0 110.149 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 44' ' ' LEU . 1.5 mt -78.09 -30.27 49.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.184 -0.947 . . . . 0.0 110.231 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -54.03 39.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.247 -0.908 . . . . 0.0 110.195 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.74 -18.04 4.19 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.206 -0.934 . . . . 0.0 110.142 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.34 7.67 27.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.244 -0.91 . . . . 0.0 110.141 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 48' ' ' ARG . 4.4 ttt-85 -138.3 6.86 2.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.212 -0.93 . . . . 0.0 110.027 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 60.8 p -83.15 12.52 5.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.222 -0.924 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.536 ' HG2' ' CB ' ' A' ' 53' ' ' ASN . 0.1 OUTLIER 66.53 63.39 0.52 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.211 -0.931 . . . . 0.0 110.206 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -61.24 -63.28 1.34 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.238 -0.914 . . . . 0.0 110.232 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.44 -27.4 47.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.208 -0.932 . . . . 0.0 110.194 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.536 ' CB ' ' HG2' ' A' ' 50' ' ' ARG . 15.6 t30 -78.7 -25.36 44.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.185 -0.947 . . . . 0.0 109.689 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 58' ' ' TYR . 12.4 t -76.65 -35.66 57.86 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.281 -0.887 . . . . 0.0 109.69 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.487 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -77.25 -39.01 49.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.835 . . . . 0.0 109.993 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.53 -42.61 82.45 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.238 -0.914 . . . . 0.0 110.052 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.507 ' HA ' ' HG2' ' A' ' 60' ' ' ARG . 28.7 t80 -76.79 -25.58 53.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.337 -0.852 . . . . 0.0 110.113 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.481 ' HB3' ' O ' ' A' ' 54' ' ' SER . 36.2 t80 -87.72 -12.65 44.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.201 -0.937 . . . . 0.0 110.188 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.587 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 38.1 t80 -115.07 10.96 16.29 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.291 -0.881 . . . . 0.0 110.258 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.846 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -87.34 140.22 29.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 0.0 110.176 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 60' ' ' ARG . 2.4 t . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.076 -1.015 . . . . 0.0 109.856 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.292 0.568 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.795 ' O ' HG23 ' A' ' 3' ' ' VAL . 10.9 m-20 -150.54 98.61 2.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.233 -0.917 . . . . 0.0 110.203 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 2' ' ' ASP . 8.3 t -160.93 -58.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.298 -0.876 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.467 ' O ' HG12 ' A' ' 6' ' ' ILE . 35.9 mt -44.46 -25.3 0.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.116 -0.99 . . . . 0.0 110.307 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.52 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 0.7 OUTLIER -48.81 -58.38 4.89 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.238 -0.914 . . . . 0.0 110.371 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.533 HG23 ' O ' ' A' ' 3' ' ' VAL . 15.8 pt 38.89 29.77 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.434 -0.791 . . . . 0.0 110.62 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' ASP . 6.9 m -116.72 -23.69 8.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.251 -0.906 . . . . 0.0 110.233 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 9' ' ' ASP . . . -76.8 -174.66 3.13 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.273 -0.892 . . . . 0.0 110.212 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 8' ' ' ALA . 5.2 p-10 37.03 70.46 1.13 Allowed Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.6 -0.688 . . . . 0.0 110.843 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.524 ' O ' HG23 ' A' ' 12' ' ' THR . 45.2 Cg_endo -72.72 -15.76 26.86 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 O-C-N 123.914 1.481 . . . . 0.0 110.436 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 11' ' ' THR . 87.8 m 58.13 46.88 15.39 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.335 -0.853 . . . . 0.0 110.179 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 10' ' ' PRO . 72.6 p -130.7 -1.31 4.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.229 -0.919 . . . . 0.0 110.045 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.923 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . . . -65.21 -57.14 16.15 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.247 -0.908 . . . . 0.0 110.241 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.923 ' HD3' ' HB3' ' A' ' 13' ' ' ALA . 47.4 Cg_endo -72.95 -3.51 13.74 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 O-C-N 123.949 1.499 . . . . 0.0 110.172 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.472 ' HB2' ' HA ' ' A' ' 12' ' ' THR . 0.8 OUTLIER -78.75 -53.07 7.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.918 . . . . 0.0 110.112 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 20' ' ' MET . 3.1 m -63.1 -27.75 69.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.229 -0.919 . . . . 0.0 110.029 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -41.72 98.79 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.174 -0.954 . . . . 0.0 109.828 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -43.26 62.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.278 -0.889 . . . . 0.0 109.873 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -43.17 99.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 109.943 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.468 ' HB2' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -62.73 -44.03 97.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.913 . . . . 0.0 109.437 179.5 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -56.2 -39.13 71.95 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.345 -0.847 . . . . 0.0 110.004 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.7 mm -66.32 -55.42 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 110.164 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 3.2 m-20 -57.84 -27.2 62.98 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 0.0 110.157 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.411 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -73.65 -40.71 63.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.265 -0.897 . . . . 0.0 110.132 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 1.8 ttpm? -64.97 -40.98 95.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.252 -0.905 . . . . 0.0 110.089 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' TRP . 22.5 tptt -69.65 -62.75 1.26 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.27 -0.894 . . . . 0.0 110.083 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.459 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -42.38 -54.51 3.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.322 -0.861 . . . . 0.0 110.184 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.435 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -60.01 -35.47 75.12 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 110.053 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 1.4 tm0? -55.92 -61.54 2.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.21 -0.931 . . . . 0.0 109.831 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -58.32 -27.74 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.316 -0.865 . . . . 0.0 109.739 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.799 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.0 t80 -68.7 -51.22 43.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -0.826 . . . . 0.0 109.938 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.15 -41.19 78.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 110.106 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -65.3 -60.71 2.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.229 -0.919 . . . . 0.0 110.187 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.1 t -53.35 -53.54 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.248 -0.908 . . . . 0.0 110.186 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 31' ' ' PHE . 38.9 t -55.5 -38.71 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.892 . . . . 0.0 110.039 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 33' ' ' THR . 13.6 m-20 -59.33 -49.0 79.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.219 -0.925 . . . . 0.0 109.821 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.565 ' CE1' HD11 ' A' ' 41' ' ' ILE . 16.9 t80 -55.16 -44.86 75.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.244 -0.91 . . . . 0.0 109.711 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.1 t -56.77 -46.59 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.308 -0.87 . . . . 0.0 109.897 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.53 -42.56 78.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -0.913 . . . . 0.0 109.697 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.485 ' O ' HD23 ' A' ' 44' ' ' LEU . 4.6 tt0 -57.62 -41.12 80.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.446 -0.784 . . . . 0.0 109.613 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 37' ' ' TYR . 18.2 mm -60.41 -47.57 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 0.0 109.678 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.5 mm -52.16 -50.07 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.289 -0.882 . . . . 0.0 109.705 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 7.4 tt0 -53.35 -50.0 65.95 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.265 -0.897 . . . . 0.0 109.701 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.541 ' HA ' ' CD ' ' A' ' 47' ' ' LYS . 3.0 mm? -53.91 -44.31 70.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.367 -0.833 . . . . 0.0 110.197 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.93 -53.84 29.38 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.874 . . . . 0.0 110.199 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.8 m -53.23 -21.87 5.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.228 -0.92 . . . . 0.0 110.217 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.541 ' CD ' ' HA ' ' A' ' 44' ' ' LEU . 2.1 mtpt -88.21 167.44 13.59 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.246 -0.909 . . . . 0.0 110.035 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.58 84.31 0.1 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.248 -0.907 . . . . 0.0 109.938 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 82.9 p -88.04 35.0 0.73 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.297 -0.877 . . . . 0.0 110.104 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.473 ' HA ' ' CG ' ' A' ' 53' ' ' ASN . 13.2 ttt180 -123.19 4.03 9.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.232 -0.917 . . . . 0.0 110.113 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 53' ' ' ASN . 78.9 p -56.28 -82.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.193 -0.942 . . . . 0.0 110.223 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' SER . 6.2 mt -43.31 -26.63 0.19 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 0.0 110.069 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 2.0 m120 -64.93 -60.02 3.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.33 -0.856 . . . . 0.0 109.845 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 t -55.2 -32.82 62.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.358 -0.839 . . . . 0.0 109.86 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.46 -42.79 82.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.259 -0.9 . . . . 0.0 110.041 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.78 96.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.233 -0.917 . . . . 0.0 110.085 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 57' ' ' PHE . 11.0 t80 -69.84 -25.29 63.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.273 -0.892 . . . . 0.0 110.13 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -88.68 -11.01 46.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.27 -0.893 . . . . 0.0 110.193 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 27.5 t80 -125.14 20.13 8.23 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.214 -0.928 . . . . 0.0 110.156 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -158.0 164.9 36.31 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.25 -0.906 . . . . 0.0 110.171 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.825 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.27 0.557 . . . . 0.0 110.181 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.495 ' C ' HG23 ' A' ' 3' ' ' VAL . 8.7 t0 -142.1 -159.71 1.0 Allowed 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.223 -0.923 . . . . 0.0 109.831 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.495 HG23 ' C ' ' A' ' 2' ' ' ASP . 3.4 t 65.84 7.53 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.371 -0.831 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.899 HD12 ' N ' ' A' ' 5' ' ' ASP . 4.7 pp -57.24 -32.45 66.56 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.215 -0.928 . . . . 0.0 110.179 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.899 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -61.95 -32.94 73.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.898 . . . . 0.0 110.179 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.535 ' CG1' ' O ' ' A' ' 5' ' ' ASP . 20.7 pt 38.43 29.01 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.538 -0.726 . . . . 0.0 110.582 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 7' ' ' THR . 99.0 m 52.95 19.73 1.44 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.292 -0.88 . . . . 0.0 110.144 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.491 ' O ' ' HD3' ' A' ' 10' ' ' PRO . . . 47.8 -175.59 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.303 -0.873 . . . . 0.0 110.231 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 9' ' ' ASP . 11.0 p-10 -107.37 75.16 0.45 Allowed Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.239 -0.913 . . . . 0.0 110.356 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 8' ' ' ALA . 45.4 Cg_endo -72.2 -2.48 11.7 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 O-C-N 123.886 1.466 . . . . 0.0 110.397 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.53 ' C ' HG23 ' A' ' 12' ' ' THR . 10.8 m -103.25 3.76 35.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.265 -0.897 . . . . 0.0 110.184 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.53 HG23 ' C ' ' A' ' 11' ' ' THR . 22.6 p -153.05 26.59 0.54 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.239 -0.913 . . . . 0.0 110.115 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.941 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . . . -59.82 -58.12 21.77 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.267 -0.895 . . . . 0.0 110.235 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.941 ' HD3' ' HB3' ' A' ' 13' ' ' ALA . 47.3 Cg_endo -73.23 -15.56 25.41 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 O-C-N 124.023 1.538 . . . . 0.0 110.17 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.426 ' HB2' ' HA ' ' A' ' 12' ' ' THR . 3.4 tm0? -68.3 -49.57 59.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.28 -0.888 . . . . 0.0 110.207 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -62.04 -28.11 69.36 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.902 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -46.8 82.92 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.171 -0.955 . . . . 0.0 110.055 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' O ' HG12 ' A' ' 22' ' ' ILE . 22.8 ttt-85 -67.65 -35.82 79.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.307 -0.871 . . . . 0.0 109.957 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.9 ttt -63.49 -51.38 65.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.864 . . . . 0.0 109.763 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.6 mmt -57.64 -40.28 78.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.412 -0.805 . . . . 0.0 109.483 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -57.57 -42.48 83.17 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.487 -0.758 . . . . 0.0 110.087 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 18' ' ' ARG . 36.0 mm -69.65 -44.82 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.313 -0.867 . . . . 0.0 110.143 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.467 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 8.1 m-20 -58.95 -29.19 66.95 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.25 -0.906 . . . . 0.0 110.179 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -76.73 -46.06 26.87 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.246 -0.909 . . . . 0.0 110.162 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -61.02 -40.7 94.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.233 -0.917 . . . . 0.0 110.12 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -68.78 -59.97 2.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.286 -0.884 . . . . 0.0 110.136 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.467 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -42.25 -44.5 3.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.256 -0.903 . . . . 0.0 110.253 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -38.56 83.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.257 -0.902 . . . . 0.0 110.089 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 26' ' ' LYS . 2.1 mt-30 -57.55 -63.08 1.36 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.195 -0.94 . . . . 0.0 109.856 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.763 ' O ' HG23 ' A' ' 34' ' ' VAL . 21.2 t -57.44 -29.42 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 0.0 109.718 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.977 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.9 t80 -66.78 -52.06 48.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.403 -0.81 . . . . 0.0 109.908 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.401 ' O ' ' OD2' ' A' ' 36' ' ' ASP . 0.4 OUTLIER -55.56 -43.72 76.16 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.205 -0.935 . . . . 0.0 110.04 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -67.77 -41.11 83.8 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.346 -0.846 . . . . 0.0 110.108 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 30' ' ' VAL . 56.8 t -64.37 -46.58 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.939 . . . . 0.0 110.157 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.977 HG23 ' O ' ' A' ' 31' ' ' PHE . 12.0 t -58.7 -41.94 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.193 -0.942 . . . . 0.0 109.953 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 32' ' ' TYR . 2.0 m-20 -58.7 -49.08 78.91 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.244 -0.91 . . . . 0.0 109.893 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.96 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 37.9 t80 -54.74 -41.42 70.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.275 -0.89 . . . . 0.0 109.84 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 34' ' ' VAL . 88.2 t -64.82 -49.6 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.899 . . . . 0.0 109.918 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -28.25 41.1 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.231 -0.918 . . . . 0.0 109.696 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.729 HE22 HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -72.15 -58.48 3.39 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.387 -0.82 . . . . 0.0 109.918 179.816 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.96 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 61.9 mt -61.91 -24.74 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.174 -0.954 . . . . 0.0 109.784 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -68.98 -51.35 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.453 -0.779 . . . . 0.0 109.904 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -62.22 -35.26 78.35 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.287 -0.883 . . . . 0.0 109.971 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.729 HD12 HE22 ' A' ' 40' ' ' GLN . 4.7 mt -70.8 -35.38 72.51 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.31 -0.869 . . . . 0.0 110.141 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -54.21 48.01 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 0.0 110.227 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.483 ' O ' ' HD3' ' A' ' 48' ' ' ARG . 3.4 m -45.56 -38.39 6.4 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 110.154 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.503 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 2.2 mtpt -83.77 45.78 1.11 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.276 -0.89 . . . . 0.0 110.056 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.483 ' HD3' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -57.65 -154.54 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 0.0 110.364 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.429 ' O ' ' HD3' ' A' ' 50' ' ' ARG . 1.2 m -86.7 38.31 0.79 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.224 -0.923 . . . . 0.0 110.182 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.533 ' CA ' ' OD1' ' A' ' 53' ' ' ASN . 9.0 mmt85 -141.87 -37.28 0.41 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.236 -0.915 . . . . 0.0 110.115 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 50' ' ' ARG . 3.7 p -43.09 -26.87 0.17 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.081 -1.012 . . . . 0.0 109.912 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.705 ' C ' HD12 ' A' ' 52' ' ' LEU . 3.7 pp -80.58 -25.92 38.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.325 -0.859 . . . . 0.0 110.444 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.564 ' ND2' ' N ' ' A' ' 54' ' ' SER . 0.4 OUTLIER -80.04 -36.11 36.23 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.976 -1.078 . . . . 0.0 109.126 179.584 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.564 ' N ' ' ND2' ' A' ' 53' ' ' ASN . 20.3 t -74.79 -37.01 62.51 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.361 -0.837 . . . . 0.0 109.433 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.486 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -72.58 -34.71 67.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.325 -0.86 . . . . 0.0 109.871 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.68 -46.75 68.25 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.214 -0.929 . . . . 0.0 110.028 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -69.13 -27.51 65.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.238 -0.914 . . . . 0.0 110.002 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -88.46 -12.38 43.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.29 -0.881 . . . . 0.0 110.167 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 10.5 t80 -124.16 19.44 9.09 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.287 -0.883 . . . . 0.0 110.215 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.475 ' O ' ' HB ' ' A' ' 61' ' ' VAL . 11.2 ttm180 -64.17 93.66 0.1 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.186 -0.946 . . . . 0.0 110.181 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 60' ' ' ARG . 1.6 p . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.157 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.215 0.531 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -106.49 32.59 4.39 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.288 -0.882 . . . . 0.0 110.23 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.863 ' C ' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -147.05 -77.42 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.359 -0.838 . . . . 0.0 110.351 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.863 HD23 ' C ' ' A' ' 3' ' ' VAL . 1.1 pt? 35.38 31.48 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.617 -0.677 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 3' ' ' VAL . 5.6 t70 -164.8 -89.28 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.245 -0.909 . . . . 0.0 110.196 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.676 HD11 HG12 ' A' ' 3' ' ' VAL . 16.9 mm 42.34 36.71 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.299 -0.876 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 7' ' ' THR . 96.9 m -139.29 7.14 2.38 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.255 -0.903 . . . . 0.0 110.205 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.499 ' O ' ' HD3' ' A' ' 10' ' ' PRO . . . -67.96 72.02 0.17 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.287 -0.883 . . . . 0.0 110.223 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.491 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 6.6 p-10 -107.34 75.11 0.44 Allowed Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.252 -0.905 . . . . 0.0 110.383 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.499 ' HD3' ' O ' ' A' ' 8' ' ' ALA . 45.7 Cg_endo -72.24 -36.46 5.54 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 O-C-N 123.882 1.464 . . . . 0.0 110.4 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 10' ' ' PRO . 10.8 t -177.66 33.63 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.266 -0.896 . . . . 0.0 110.185 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 12' ' ' THR . 4.4 m -121.04 5.93 10.35 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.303 -0.873 . . . . 0.0 110.173 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' THR . . . 42.68 60.04 10.33 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 110.267 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HD2' ' HB2' ' A' ' 9' ' ' ASP . 46.3 Cg_endo -71.43 -44.07 1.22 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 O-C-N 123.996 1.524 . . . . 0.0 110.182 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -48.17 -46.7 35.01 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.235 -0.916 . . . . 0.0 110.201 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -65.94 -28.07 68.64 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.216 -0.927 . . . . 0.0 110.043 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 0.3 OUTLIER -61.16 -47.6 85.44 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.194 -0.941 . . . . 0.0 110.008 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.472 ' O ' HG12 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -69.19 -42.89 75.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.33 -0.856 . . . . 0.0 110.062 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -41.4 90.28 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.26 -0.9 . . . . 0.0 109.99 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.6 mtt -63.53 -47.02 83.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.0 109.411 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -54.55 -35.97 63.82 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.456 -0.777 . . . . 0.0 110.056 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 18' ' ' ARG . 17.1 mm -68.37 -50.78 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 0.0 110.189 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -55.68 -29.51 59.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.903 . . . . 0.0 110.209 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -43.84 52.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.201 -0.937 . . . . 0.0 110.148 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 1.1 tttt -60.28 -40.19 89.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 0.0 110.142 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.73 -58.73 3.79 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.271 -0.893 . . . . 0.0 110.191 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' LYS . 41.5 t-105 -42.41 -46.91 4.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.318 -0.864 . . . . 0.0 110.349 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -38.88 87.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.212 -0.93 . . . . 0.0 110.245 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 3.5 mt-30 -54.85 -60.24 3.63 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.148 -0.97 . . . . 0.0 109.93 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 34' ' ' VAL . 84.2 t -60.66 -29.17 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.238 -0.914 . . . . 0.0 109.82 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.882 ' O ' HG23 ' A' ' 35' ' ' VAL . 13.6 t80 -66.41 -51.26 58.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.368 -0.832 . . . . 0.0 110.022 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.455 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 10.6 t80 -59.12 -41.38 88.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.226 -0.921 . . . . 0.0 110.242 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.48 -49.0 63.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.244 -0.91 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 30' ' ' VAL . 55.6 t -61.32 -50.46 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.926 . . . . 0.0 110.209 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 31' ' ' PHE . 22.2 t -59.19 -36.05 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.226 -0.921 . . . . 0.0 110.066 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 32' ' ' TYR . 1.7 m-20 -62.77 -46.39 88.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.272 -0.892 . . . . 0.0 109.913 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 1.085 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 15.6 t80 -59.46 -41.77 90.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.314 -0.867 . . . . 0.0 109.877 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.43 -43.41 94.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.307 -0.871 . . . . 0.0 110.081 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -60.75 -35.63 76.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 0.0 109.9 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 22.1 mm100 -65.79 -48.04 73.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.379 -0.825 . . . . 0.0 110.002 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 1.085 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 61.9 mt -62.47 -54.2 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.24 -0.912 . . . . 0.0 109.956 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 45' ' ' MET . 5.3 mt -47.79 -67.75 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.279 -0.888 . . . . 0.0 109.584 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 58.9 tt0 -45.66 -33.39 2.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.404 -0.81 . . . . 0.0 110.131 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.474 ' HA ' HD23 ' A' ' 44' ' ' LEU . 1.1 mt -72.92 -28.97 62.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.244 -0.91 . . . . 0.0 110.123 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -67.65 -53.93 23.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.306 -0.871 . . . . 0.0 110.197 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 48' ' ' ARG . 17.7 m -58.82 -37.88 77.38 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.287 -0.883 . . . . 0.0 110.238 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -54.79 85.62 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.22 -0.925 . . . . 0.0 110.232 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER 43.19 -141.17 0.16 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.209 -0.932 . . . . 0.0 109.952 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.47 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 1.8 t 66.98 42.53 2.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.172 -0.955 . . . . 0.0 110.22 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.557 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 95.7 mtt180 -149.98 -37.49 0.15 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 0.0 110.226 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 50' ' ' ARG . 23.6 p -41.72 -29.69 0.2 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.231 -0.918 . . . . 0.0 109.788 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.886 HD13 ' O ' ' A' ' 52' ' ' LEU . 3.1 tm? -75.08 -34.39 61.77 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.417 -0.802 . . . . 0.0 110.019 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.557 ' ND2' ' HA ' ' A' ' 50' ' ' ARG . 37.1 p30 -75.72 -18.09 59.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.116 -0.99 . . . . 0.0 109.435 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.543 ' N ' ' OD1' ' A' ' 53' ' ' ASN . 32.1 t -82.39 -44.65 15.86 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.437 -0.789 . . . . 0.0 109.192 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -67.83 -34.3 76.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.408 -0.808 . . . . 0.0 109.661 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.41 -55.91 6.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.29 -0.881 . . . . 0.0 109.933 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 53' ' ' ASN . 2.2 m-85 -56.41 -28.01 58.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 0.0 109.853 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -89.64 -17.06 29.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.321 -0.862 . . . . 0.0 110.155 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.559 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 80.2 t80 -128.47 54.82 1.73 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.216 -0.928 . . . . 0.0 110.126 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.4 mtm-85 -55.56 150.8 11.55 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.25 -0.906 . . . . 0.0 110.238 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 118.025 -0.988 . . . . 0.0 109.853 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.238 0.542 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.439 ' O ' ' OD2' ' A' ' 5' ' ' ASP . 18.0 m-20 -106.94 32.7 4.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 0.0 110.197 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 5' ' ' ASP . 20.8 t -79.78 -38.09 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.302 -0.874 . . . . 0.0 110.219 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 43.2 tp -61.47 76.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.273 -0.892 . . . . 0.0 110.164 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.534 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 0.5 OUTLIER 175.08 -57.92 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.255 -0.903 . . . . 0.0 110.243 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.534 ' CG1' ' O ' ' A' ' 5' ' ' ASP . 19.6 pt 38.57 28.89 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.575 -0.703 . . . . 0.0 110.615 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 5' ' ' ASP . 85.4 m -121.44 -20.45 6.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 110.124 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.95 33.79 0.54 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.215 -0.928 . . . . 0.0 110.188 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -125.08 75.19 67.39 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.324 -0.86 . . . . 0.0 110.174 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' O ' ' HB ' ' A' ' 11' ' ' THR . 46.4 Cg_endo -73.13 -1.1 10.05 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 O-C-N 124.047 1.551 . . . . 0.0 110.479 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 11' ' ' THR . 86.5 m 57.15 43.68 23.64 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.242 -0.911 . . . . 0.0 110.2 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' A' ' 13' ' ' ALA . 4.9 t -177.78 -39.43 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.267 -0.895 . . . . 0.0 110.217 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.963 ' HB1' ' CG2' ' A' ' 16' ' ' THR . . . -132.99 49.18 4.11 Favored Pre-proline 0 C--N 1.305 -1.341 0 O-C-N 121.266 -0.896 . . . . 0.0 110.624 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 13' ' ' ALA . 39.8 Cg_endo -63.29 -24.4 71.93 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 O-C-N 123.893 1.47 . . . . 0.0 110.33 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.98 -54.22 4.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 0.0 110.206 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.963 ' CG2' ' HB1' ' A' ' 13' ' ' ALA . 7.1 t -58.47 -43.53 88.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.265 -0.897 . . . . 0.0 110.186 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.56 ' N ' HG23 ' A' ' 16' ' ' THR . 0.2 OUTLIER -48.08 -49.47 31.53 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.216 -0.928 . . . . 0.0 110.274 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 6.5 tpt180 -65.05 -41.61 95.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.289 -0.882 . . . . 0.0 110.196 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.486 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -60.8 -47.63 85.47 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.176 -0.953 . . . . 0.0 109.813 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.417 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 28.4 mmt -60.67 -33.65 73.15 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.238 -0.914 . . . . 0.0 109.466 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 8.5 ttm180 -61.92 -45.81 92.07 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.438 -0.789 . . . . 0.0 110.398 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 19' ' ' MET . 0.2 OUTLIER -69.18 -40.74 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.136 -0.978 . . . . 0.0 110.183 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.48 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 16.1 m-80 -68.56 -28.17 66.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.275 -0.89 . . . . 0.0 110.184 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.477 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 9.2 t90 -74.16 -42.87 59.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.307 -0.87 . . . . 0.0 110.063 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -65.32 -41.09 94.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.331 -0.855 . . . . 0.0 110.123 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' TRP . 69.8 tttt -68.09 -64.04 0.94 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.272 -0.893 . . . . 0.0 110.163 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.48 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -42.28 -51.64 4.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.296 -0.877 . . . . 0.0 110.321 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.477 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -61.01 -35.06 75.85 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.186 -0.946 . . . . 0.0 110.103 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -66.07 0.59 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.2 -0.937 . . . . 0.0 109.912 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.553 ' O ' HG23 ' A' ' 34' ' ' VAL . 45.1 t -60.97 -22.12 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.295 -0.878 . . . . 0.0 109.816 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.787 ' O ' HG23 ' A' ' 35' ' ' VAL . 20.9 t80 -72.78 -51.24 19.82 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.405 -0.809 . . . . 0.0 109.988 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -40.86 92.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.173 -0.955 . . . . 0.0 110.155 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -49.83 30.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.282 -0.887 . . . . 0.0 110.209 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 30' ' ' VAL . 52.9 t -59.52 -52.55 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.235 -0.915 . . . . 0.0 110.22 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 31' ' ' PHE . 32.0 t -58.23 -38.15 66.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.199 -0.938 . . . . 0.0 110.046 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -60.49 -44.8 95.57 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.246 -0.909 . . . . 0.0 109.994 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.981 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 15.1 t80 -61.39 -45.42 94.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.219 -0.926 . . . . 0.0 109.904 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.43 -38.84 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.26 -0.9 . . . . 0.0 109.966 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -60.13 -38.53 83.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.283 -0.886 . . . . 0.0 109.816 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 1.4 tt0 -65.76 -52.02 54.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.488 -0.758 . . . . 0.0 109.966 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.981 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 55.0 mt -61.52 -52.27 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.285 -0.884 . . . . 0.0 109.968 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 43' ' ' GLN . 7.5 mt -47.78 -69.53 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.434 ' N ' HG22 ' A' ' 42' ' ' ILE . 10.8 tt0 -45.53 -32.51 2.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.402 -0.811 . . . . 0.0 110.097 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 44' ' ' LEU . 1.2 mt -72.73 -29.0 62.98 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.243 -0.911 . . . . 0.0 110.164 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 1.032 ' CE ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -72.94 -53.98 9.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.326 -0.859 . . . . 0.0 110.17 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.1 t -62.96 -15.14 54.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.201 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.504 ' O ' ' HD3' ' A' ' 48' ' ' ARG . 7.0 tppt? -74.36 -19.8 60.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.2 -0.938 . . . . 0.0 110.219 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.504 ' HD3' ' O ' ' A' ' 47' ' ' LYS . 7.0 mmt180 -120.39 42.3 3.01 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -0.89 . . . . 0.0 109.988 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.536 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 12.5 t 46.68 56.47 6.51 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.29 -0.881 . . . . 0.0 110.221 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 49' ' ' SER . 2.5 ptp180 37.02 45.34 0.44 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.712 -0.617 . . . . 0.0 110.691 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 t -61.07 -57.15 13.75 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.262 -0.899 . . . . 0.0 110.189 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.032 HD23 ' CE ' ' A' ' 45' ' ' MET . 29.1 tp -54.45 -32.71 58.19 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.247 -0.908 . . . . 0.0 110.151 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -74.16 -25.64 59.85 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.21 -0.931 . . . . 0.0 109.575 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' ' 58' ' ' TYR . 3.1 t -73.83 -39.32 64.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.335 -0.853 . . . . 0.0 109.762 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -71.99 -40.21 68.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.324 -0.86 . . . . 0.0 109.974 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.95 -35.47 80.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.264 -0.898 . . . . 0.0 110.094 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -78.98 -24.4 43.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 110.135 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.481 ' HB2' ' O ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -95.16 -7.43 39.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.273 -0.892 . . . . 0.0 110.182 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 75.5 t80 -123.97 19.42 9.24 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.267 -0.896 . . . . 0.0 110.169 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 60' ' ' ARG . 6.7 ttt180 -114.9 1.22 13.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.213 -0.929 . . . . 0.0 110.229 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.018 -0.992 . . . . 0.0 109.844 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.246 0.546 . . . . 0.0 110.176 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.11 114.43 0.49 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.219 -0.926 . . . . 0.0 110.194 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.571 ' O ' HD11 ' A' ' 6' ' ' ILE . 48.7 t -73.02 -3.22 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.231 -0.918 . . . . 0.0 110.197 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.998 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 39.9 tp -82.56 -61.75 1.8 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.254 -0.904 . . . . 0.0 110.271 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -42.34 -54.39 3.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.268 -0.895 . . . . 0.0 110.326 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.855 ' O ' HD12 ' A' ' 6' ' ' ILE . 1.8 pp -43.01 95.6 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.285 -0.884 . . . . 0.0 110.208 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 7' ' ' THR . 86.2 m 53.33 61.19 3.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.205 -0.934 . . . . 0.0 110.234 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.998 ' HB2' ' O ' ' A' ' 4' ' ' LEU . . . -95.23 -164.26 1.14 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.294 -0.879 . . . . 0.0 110.256 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 24.7 t0 -131.35 61.38 58.76 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.278 -0.889 . . . . 0.0 110.202 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.462 ' O ' ' HB ' ' A' ' 11' ' ' THR . 46.5 Cg_endo -73.63 -0.26 9.1 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 O-C-N 124.005 1.529 . . . . 0.0 110.51 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.804 HG23 ' H ' ' A' ' 13' ' ' ALA . 12.8 t -178.14 178.11 0.95 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.261 -0.899 . . . . 0.0 110.284 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.409 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 5.5 m -65.97 -11.14 45.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.245 -0.91 . . . . 0.0 110.17 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.804 ' H ' HG23 ' A' ' 11' ' ' THR . . . 54.9 68.53 2.53 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.247 -0.908 . . . . 0.0 110.371 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 44.3 Cg_endo -69.53 -46.34 1.36 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 O-C-N 123.983 1.518 . . . . 0.0 110.131 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -48.62 -48.87 39.08 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.232 -0.917 . . . . 0.0 110.097 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 m -62.07 -28.34 69.54 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.268 -0.895 . . . . 0.0 109.947 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 0.4 OUTLIER -63.06 -46.99 84.88 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.189 -0.944 . . . . 0.0 109.988 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.487 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -66.84 -38.89 87.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 0.0 109.862 179.797 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.2 ttp -63.03 -51.39 66.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.288 -0.882 . . . . 0.0 109.595 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.21 -42.42 86.19 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.429 -0.795 . . . . 0.0 109.232 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -54.52 -40.98 69.14 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.459 -0.776 . . . . 0.0 109.866 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.523 ' HA ' ' HG2' ' A' ' 25' ' ' LYS . 5.7 mt -65.46 -58.57 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.899 . . . . 0.0 109.894 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 22' ' ' ILE . 5.6 m-20 -43.77 -34.57 1.59 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.183 -0.948 . . . . 0.0 109.774 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.517 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -72.53 -40.48 66.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.386 -0.822 . . . . 0.0 109.98 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HG2' ' HA ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -64.99 -21.75 66.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.926 . . . . 0.0 109.862 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.511 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 26.3 tttm -83.19 -64.99 1.06 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.371 -0.831 . . . . 0.0 109.806 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.435 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -45.3 -38.88 6.04 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.274 -0.891 . . . . 0.0 109.91 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.443 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -73.58 -47.11 42.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.346 -0.846 . . . . 0.0 110.146 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -49.17 -54.07 18.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.193 -0.942 . . . . 0.0 110.001 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -70.78 -27.81 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.272 -0.893 . . . . 0.0 110.013 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CE1' HG21 ' A' ' 35' ' ' VAL . 8.4 t80 -65.62 -44.68 85.75 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.325 -0.859 . . . . 0.0 110.172 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 4.2 t80 -75.89 -32.64 59.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.234 -0.916 . . . . 0.0 110.606 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -75.65 -45.79 35.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.161 -0.962 . . . . 0.0 110.504 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.1 t -67.74 -48.63 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.103 -0.998 . . . . 0.0 110.023 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.573 HG21 ' CE1' ' A' ' 31' ' ' PHE . 24.2 t -64.79 -32.64 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.262 -0.899 . . . . 0.0 110.01 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 32' ' ' TYR . 5.0 m-20 -65.52 -42.39 92.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.162 -0.961 . . . . 0.0 109.537 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.536 ' CE1' HD11 ' A' ' 41' ' ' ILE . 8.1 t80 -61.99 -48.05 82.06 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.272 -0.893 . . . . 0.0 109.567 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.3 t -59.01 -39.83 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.286 -0.884 . . . . 0.0 109.857 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -60.07 -39.7 86.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.236 -0.915 . . . . 0.0 109.803 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -64.79 -39.83 94.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.455 -0.778 . . . . 0.0 109.882 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.536 HD11 ' CE1' ' A' ' 37' ' ' TYR . 20.8 mm -58.67 -57.58 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.203 -0.935 . . . . 0.0 109.232 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.486 ' HA ' ' CG ' ' A' ' 45' ' ' MET . 4.9 mt -46.64 -59.86 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.474 -0.766 . . . . 0.0 109.176 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 42' ' ' ILE . 4.6 tt0 -40.99 -40.19 1.36 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.642 -0.661 . . . . 0.0 109.699 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.494 ' HA ' HD23 ' A' ' 44' ' ' LEU . 5.3 mt -75.48 -35.22 60.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.321 -0.862 . . . . 0.0 109.796 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 25.0 mtp -47.72 -46.82 30.05 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.423 -0.798 . . . . 0.0 110.192 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.531 ' CB ' ' HE2' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -42.61 -31.24 0.43 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.334 -0.854 . . . . 0.0 110.212 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.531 ' HE2' ' CB ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -79.66 158.99 26.89 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.251 -0.906 . . . . 0.0 109.94 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.446 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -179.56 85.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.202 -0.936 . . . . 0.0 110.244 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.457 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 23.1 t -129.49 20.94 5.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.287 -0.883 . . . . 0.0 110.247 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER 171.93 -27.62 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.283 -0.885 . . . . 0.0 110.264 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' ARG . 9.1 p -42.79 -62.79 0.91 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.292 -0.88 . . . . 0.0 110.235 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -51.03 -34.07 27.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.277 -0.889 . . . . 0.0 110.199 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 57' ' ' PHE . 50.8 t-20 -71.66 -25.35 62.09 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.27 -0.894 . . . . 0.0 109.663 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -43.31 55.41 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.316 -0.865 . . . . 0.0 109.699 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.468 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -67.1 -36.25 81.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.317 -0.864 . . . . 0.0 109.97 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.539 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . -83.27 -22.56 32.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.276 -0.89 . . . . 0.0 110.114 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 53' ' ' ASN . 47.4 t80 -96.81 -3.9 41.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.136 -0.978 . . . . 0.0 110.472 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -116.43 -28.88 6.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.08 -1.012 . . . . 0.0 110.645 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.539 ' CD1' ' C ' ' A' ' 59' ' ' TYR . 2.1 p90 -45.03 -27.73 0.6 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.066 -1.021 . . . . 0.0 110.155 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.469 ' O ' ' HB ' ' A' ' 61' ' ' VAL . 1.0 OUTLIER -74.41 170.29 15.96 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.327 -0.858 . . . . 0.0 110.249 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 60' ' ' ARG . 1.6 p . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.138 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.235 0.541 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.794 ' O ' HG23 ' A' ' 3' ' ' VAL . 22.1 p30 -161.58 100.88 1.18 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.903 . . . . 0.0 110.218 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 2' ' ' ASP . 7.6 t -160.97 -58.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.305 -0.872 . . . . 0.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.724 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -77.41 57.74 1.57 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.129 -0.982 . . . . 0.0 110.243 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 7.3 t70 175.83 -56.18 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.211 -0.931 . . . . 0.0 110.198 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.547 HD11 ' HA ' ' A' ' 3' ' ' VAL . 18.1 mm 42.81 38.76 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.24 -0.912 . . . . 0.0 110.318 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 6' ' ' ILE . 18.8 m 42.68 61.7 1.99 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.284 -0.885 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.465 ' C ' ' HD3' ' A' ' 10' ' ' PRO . . . -57.75 -168.44 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.272 -0.893 . . . . 0.0 110.208 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 9' ' ' ASP . 7.2 p-10 -118.15 56.19 2.38 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.258 -0.901 . . . . 0.0 110.459 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.465 ' HD3' ' C ' ' A' ' 8' ' ' ALA . 44.5 Cg_endo -71.19 -3.21 12.46 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 O-C-N 123.912 1.48 . . . . 0.0 110.457 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -89.35 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.262 -0.899 . . . . 0.0 110.145 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.492 HG22 ' HD3' ' A' ' 14' ' ' PRO . 18.4 m -93.92 -35.52 12.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.281 -0.887 . . . . 0.0 110.106 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 17' ' ' GLU . . . 41.86 59.49 9.51 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.385 -0.822 . . . . 0.0 110.424 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.51 ' O ' ' N ' ' A' ' 17' ' ' GLU . 42.0 Cg_endo -70.63 -82.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 O-C-N 124.026 1.54 . . . . 0.0 110.447 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -42.13 -34.95 0.81 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.125 -0.984 . . . . 0.0 110.18 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 20' ' ' MET . 3.0 m -72.37 -28.51 63.07 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.248 -0.907 . . . . 0.0 110.102 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -66.45 -43.03 86.7 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.138 -0.976 . . . . 0.0 109.654 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.479 ' O ' HD13 ' A' ' 22' ' ' ILE . 14.5 tpt180 -69.86 -42.58 73.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.325 -0.859 . . . . 0.0 109.734 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.0 ttt -61.92 -49.93 74.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.302 -0.874 . . . . 0.0 109.585 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 16' ' ' THR . 0.7 OUTLIER -57.28 -39.6 76.01 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.42 -0.8 . . . . 0.0 109.272 179.506 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 17.6 tpp180 -56.65 -46.6 80.97 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.461 -0.774 . . . . 0.0 110.072 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.569 ' CD1' ' N ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -68.87 -50.84 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.273 -0.892 . . . . 0.0 109.79 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.474 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 9.4 m-80 -56.31 -26.75 53.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 0.0 110.038 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.483 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -75.82 -45.92 33.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.899 . . . . 0.0 110.035 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -57.89 -40.19 79.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 0.0 110.154 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 12.4 mmtt -72.24 -64.51 0.93 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.224 -0.922 . . . . 0.0 110.207 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.584 ' HA ' ' CE3' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -42.3 -48.74 5.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.24 -0.913 . . . . 0.0 110.396 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.483 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -63.36 -40.63 97.8 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.207 -0.933 . . . . 0.0 110.186 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -53.41 -59.24 4.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.11 -0.994 . . . . 0.0 109.814 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 34' ' ' VAL . 17.5 t -59.87 -28.07 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.323 -0.861 . . . . 0.0 109.79 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.881 ' O ' HG23 ' A' ' 35' ' ' VAL . 11.1 t80 -68.44 -51.43 43.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.408 -0.808 . . . . 0.0 109.973 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -57.16 -42.9 81.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.251 -0.905 . . . . 0.0 110.096 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.4 m -69.92 -44.1 70.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.258 -0.901 . . . . 0.0 110.225 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 30' ' ' VAL . 54.4 t -61.99 -51.55 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 110.133 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 31' ' ' PHE . 18.8 t -56.97 -40.04 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.209 -0.932 . . . . 0.0 109.981 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -59.08 -48.12 82.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.27 -0.893 . . . . 0.0 109.797 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.716 ' CE1' HD11 ' A' ' 41' ' ' ILE . 14.3 t80 -55.41 -44.96 76.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.907 . . . . 0.0 109.719 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -55.74 -45.67 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.293 -0.879 . . . . 0.0 109.935 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -41.79 79.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.241 -0.912 . . . . 0.0 109.743 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 90.3 mm-40 -60.2 -38.37 83.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.456 -0.777 . . . . 0.0 109.878 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.716 HD11 ' CE1' ' A' ' 37' ' ' TYR . 21.3 mm -62.38 -55.5 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.287 -0.883 . . . . 0.0 109.723 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.0 mt -48.91 -65.82 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.299 -0.876 . . . . 0.0 109.504 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.463 ' O ' ' HB3' ' A' ' 47' ' ' LYS . 28.6 tt0 -46.5 -32.33 3.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.526 -0.734 . . . . 0.0 110.097 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.48 ' HA ' HD23 ' A' ' 44' ' ' LEU . 1.3 mt -74.55 -29.18 61.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.202 -0.936 . . . . 0.0 110.151 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.5 tpt -68.77 -48.23 64.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.247 -0.908 . . . . 0.0 110.078 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.4 m -74.91 -41.07 60.42 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.883 . . . . 0.0 110.331 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.531 ' CG ' ' N ' ' A' ' 48' ' ' ARG . 10.6 ttpp -99.72 172.21 7.41 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.263 -0.898 . . . . 0.0 110.09 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.531 ' N ' ' CG ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -106.33 154.16 21.16 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.241 -0.912 . . . . 0.0 110.075 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 p -69.23 -85.16 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.233 -0.917 . . . . 0.0 110.171 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.508 ' HA ' ' OD1' ' A' ' 53' ' ' ASN . 3.2 tpt180 -135.62 9.21 3.37 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.244 -0.91 . . . . 0.0 110.139 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.503 ' OG ' ' N ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -62.26 -80.36 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.206 -0.934 . . . . 0.0 110.258 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.514 ' CD1' ' N ' ' A' ' 52' ' ' LEU . 5.8 mp -45.48 -28.63 0.94 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.213 -0.93 . . . . 0.0 109.929 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.508 ' OD1' ' HA ' ' A' ' 50' ' ' ARG . 5.5 m120 -58.6 -66.26 0.52 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.297 -0.877 . . . . 0.0 109.84 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -38.47 53.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.335 -0.853 . . . . 0.0 109.845 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -62.39 -40.16 95.59 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.282 -0.886 . . . . 0.0 109.969 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.581 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . -77.78 -21.75 51.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.284 -0.885 . . . . 0.0 110.085 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.52 -7.2 44.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.22 -0.925 . . . . 0.0 110.38 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -114.79 -18.11 11.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.174 -0.954 . . . . 0.0 110.584 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.581 ' CE1' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -70.56 -3.94 20.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.131 -0.981 . . . . 0.0 110.301 -179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.53 ' N ' ' CD1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -42.6 140.46 1.27 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.31 -0.869 . . . . 0.0 110.227 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 60' ' ' ARG . 1.6 p . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.115 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.5 t . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.23 0.538 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.75 32.79 4.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.291 -0.881 . . . . 0.0 110.171 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.811 HG12 ' H ' ' A' ' 5' ' ' ASP . 22.4 t -79.85 -53.17 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.347 -0.845 . . . . 0.0 110.238 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.569 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 12.6 mt 40.4 31.37 0.1 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.357 -0.839 . . . . 0.0 110.311 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.811 ' H ' HG12 ' A' ' 3' ' ' VAL . 6.1 t0 79.59 -23.72 0.23 Allowed 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.781 -0.574 . . . . 0.0 111.376 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 1.9 pp -42.04 -26.75 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 120.984 -1.072 . . . . 0.0 110.545 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.595 HG22 ' N ' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -130.9 -54.12 1.06 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.107 -0.996 . . . . 0.0 110.022 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.826 ' HB3' ' HG1' ' A' ' 16' ' ' THR . . . 41.43 49.97 3.56 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.263 -0.898 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.926 ' CB ' ' HB2' ' A' ' 13' ' ' ALA . 19.2 p-10 -107.27 75.57 0.45 Allowed Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.228 -0.92 . . . . 0.0 110.443 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 8' ' ' ALA . 45.4 Cg_endo -72.07 -56.31 0.1 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 O-C-N 123.888 1.468 . . . . 0.0 110.256 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.12 -44.07 2.71 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.318 -0.864 . . . . 0.0 110.154 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 12' ' ' THR . 4.7 m -142.42 9.54 1.84 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.219 -0.925 . . . . 0.0 110.233 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.926 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . . . 40.17 50.26 3.4 Favored Pre-proline 0 N--CA 1.493 1.722 0 O-C-N 121.373 -0.83 . . . . 0.0 110.758 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 13' ' ' ALA . 47.1 Cg_endo -71.65 -50.97 0.26 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 O-C-N 123.871 1.458 . . . . 0.0 110.209 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -56.13 -42.97 77.74 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.255 -0.903 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.826 ' HG1' ' HB3' ' A' ' 8' ' ' ALA . 3.0 m -68.58 -28.6 67.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.171 -0.955 . . . . 0.0 110.113 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' OE2' ' HE1' ' A' ' 20' ' ' MET . 0.3 OUTLIER -60.29 -49.05 79.14 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 121.103 -0.998 . . . . 0.0 109.975 179.757 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 ttm-85 -69.82 -39.59 76.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.365 -0.834 . . . . 0.0 110.001 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.2 tpp -60.31 -40.32 90.11 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.288 -0.883 . . . . 0.0 110.029 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.471 ' HE1' ' OE2' ' A' ' 17' ' ' GLU . 5.0 mtm -66.16 -50.18 64.83 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.19 -0.944 . . . . 0.0 109.461 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -58.17 -29.35 65.54 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.418 -0.801 . . . . 0.0 110.068 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.1 mm -79.12 -37.76 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 110.199 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -64.12 -33.99 77.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.177 -0.952 . . . . 0.0 110.143 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.522 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -79.16 -49.92 11.81 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.194 -0.941 . . . . 0.0 110.035 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 18.0 tttt -62.74 -32.06 73.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.333 -0.854 . . . . 0.0 110.129 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' TRP . 8.6 tttp -77.62 -61.27 2.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.862 . . . . 0.0 110.109 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.468 ' O ' ' HB2' ' A' ' 31' ' ' PHE . 8.0 t-105 -42.24 -49.06 5.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.42 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -70.09 -44.82 68.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.161 -0.962 . . . . 0.0 110.264 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -54.14 -59.73 4.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.201 -0.937 . . . . 0.0 109.976 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.766 ' O ' HG23 ' A' ' 34' ' ' VAL . 93.5 t -62.24 -27.02 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.225 -0.922 . . . . 0.0 109.798 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.787 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.3 t80 -67.78 -52.18 40.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.39 -0.819 . . . . 0.0 109.981 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -40.47 90.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.237 -0.914 . . . . 0.0 110.223 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -43.14 70.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.279 -0.888 . . . . 0.0 110.221 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 30' ' ' VAL . 50.2 t -60.09 -52.27 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.253 -0.905 . . . . 0.0 110.184 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 31' ' ' PHE . 9.7 t -60.65 -43.84 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 110.046 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 40' ' ' GLN . 50.3 m-20 -62.16 -39.5 92.86 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.192 -0.943 . . . . 0.0 109.805 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.882 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 15.9 t80 -60.51 -40.51 91.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.33 -0.856 . . . . 0.0 109.857 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 34' ' ' VAL . 48.2 t -67.93 -48.68 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.253 -0.904 . . . . 0.0 109.886 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -57.11 -26.42 60.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.15 -0.968 . . . . 0.0 109.559 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.487 ' O ' HD23 ' A' ' 44' ' ' LEU . 26.0 mm100 -73.12 -57.48 3.99 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.383 -0.823 . . . . 0.0 109.939 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.882 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 60.6 mt -61.98 -30.88 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.196 -0.94 . . . . 0.0 109.526 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.34 -55.31 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.475 -0.766 . . . . 0.0 109.647 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 47' ' ' LYS . 2.8 tt0 -54.53 -42.95 71.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.293 -0.879 . . . . 0.0 109.629 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 3.1 mm? -62.98 -46.08 89.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.345 -0.847 . . . . 0.0 110.289 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -58.8 6.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.287 -0.883 . . . . 0.0 110.238 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' A' ' 47' ' ' LYS . 28.8 m -73.33 -23.01 60.19 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 110.183 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.536 ' O ' ' CG ' ' A' ' 48' ' ' ARG . 0.4 OUTLIER 59.06 14.76 3.61 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.258 -0.901 . . . . 0.0 110.266 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 47' ' ' LYS . 12.0 ptt180 38.54 36.39 0.13 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.543 -0.723 . . . . 0.0 110.603 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 p -161.28 134.0 6.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.271 -0.893 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.88 14.74 6.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.267 -0.896 . . . . 0.0 110.307 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -58.84 5.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.224 -0.923 . . . . 0.0 110.159 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 52' ' ' LEU . 49.5 mt -60.19 -27.58 67.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.214 -0.929 . . . . 0.0 110.066 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -78.43 -25.53 46.02 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.242 -0.911 . . . . 0.0 109.601 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 58' ' ' TYR . 46.2 t -76.2 -36.5 58.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.311 -0.868 . . . . 0.0 109.656 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -76.06 -39.33 55.72 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.29 -0.881 . . . . 0.0 109.921 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.83 -40.77 88.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.0 110.026 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -77.81 -24.7 48.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.863 . . . . 0.0 110.119 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 54' ' ' SER . 28.4 t80 -88.7 -12.11 43.28 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 110.192 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 7.6 t80 -115.77 12.67 15.98 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.281 -0.887 . . . . 0.0 110.137 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.471 ' O ' ' HB ' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -129.84 6.08 5.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.13 -0.982 . . . . 0.0 110.156 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.471 ' HB ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.168 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.297 0.57 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 3.9 m-20 -105.93 101.09 10.61 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.163 -0.961 . . . . 0.0 110.164 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 3' ' ' VAL . 54.8 t -99.34 9.85 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.227 -0.921 . . . . 0.0 110.141 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.804 ' N ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -117.38 45.04 1.99 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.399 -0.813 . . . . 0.0 110.132 179.328 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -172.72 -54.96 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.515 -0.741 . . . . 0.0 110.087 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.421 ' O ' ' OG1' ' A' ' 7' ' ' THR . 8.8 mm -109.44 40.7 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.099 -1.001 . . . . 0.0 110.111 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.428 ' CG2' HG13 ' A' ' 3' ' ' VAL . 1.2 m -176.99 -30.75 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.357 -0.84 . . . . 0.0 110.037 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.527 ' HB2' ' HA ' ' A' ' 4' ' ' LEU . . . -45.16 -72.09 0.06 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.13 -0.981 . . . . 0.0 110.327 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.458 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 6.2 t70 -153.82 95.63 2.81 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.225 -0.922 . . . . 0.0 110.328 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -72.92 -37.88 3.33 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 O-C-N 124.016 1.535 . . . . 0.0 110.318 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.469 ' O ' ' HB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -117.13 -78.11 0.58 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.312 -0.867 . . . . 0.0 110.056 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 11' ' ' THR . 5.7 t -177.45 28.44 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.307 -0.871 . . . . 0.0 110.435 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.973 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . . . -74.77 -62.58 0.89 Allowed Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.167 -0.958 . . . . 0.0 110.392 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.973 ' HD3' ' HB3' ' A' ' 13' ' ' ALA . 47.4 Cg_endo -72.65 -2.5 11.95 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 O-C-N 123.735 1.387 . . . . 0.0 110.065 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -84.08 -32.07 24.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.249 -0.907 . . . . 0.0 110.141 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.55 ' CG2' ' N ' ' A' ' 17' ' ' GLU . 2.9 t -72.22 -44.92 62.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.203 -0.936 . . . . 0.0 110.12 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.55 ' N ' ' CG2' ' A' ' 16' ' ' THR . 0.8 OUTLIER -52.82 -44.97 67.05 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.243 -0.91 . . . . 0.0 110.267 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -69.56 -40.96 76.48 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.299 -0.876 . . . . 0.0 110.035 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -44.15 97.4 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.231 -0.918 . . . . 0.0 109.859 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 16' ' ' THR . 5.3 mtt -61.32 -44.25 97.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.24 -0.912 . . . . 0.0 109.427 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -55.16 -41.57 72.01 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.376 -0.827 . . . . 0.0 110.04 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' A' ' 22' ' ' ILE . 15.9 mm -64.54 -52.53 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.24 -0.912 . . . . 0.0 110.11 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.475 ' O ' ' HB2' ' A' ' 27' ' ' TRP . 14.1 m-80 -58.9 -20.1 48.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.925 . . . . 0.0 110.051 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -78.08 -47.63 17.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.297 -0.877 . . . . 0.0 110.138 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -42.02 99.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.249 -0.907 . . . . 0.0 110.069 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' TRP . 3.6 tptm -68.32 -61.21 1.94 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.269 -0.895 . . . . 0.0 110.002 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.475 ' HB2' ' O ' ' A' ' 23' ' ' ASN . 8.5 t90 -42.63 -40.84 2.87 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.299 -0.876 . . . . 0.0 110.141 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.465 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -65.47 -46.41 79.92 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.323 -0.861 . . . . 0.0 110.092 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.25 -61.76 2.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 109.747 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 34' ' ' VAL . 15.9 t -59.2 -27.73 37.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.335 -0.853 . . . . 0.0 109.736 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.009 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.8 t80 -67.01 -52.77 38.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.384 -0.822 . . . . 0.0 109.872 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -56.24 -43.46 78.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.164 -0.96 . . . . 0.0 109.992 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 66.5 m -67.77 -44.55 77.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.29 -0.881 . . . . 0.0 110.119 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 30' ' ' VAL . 54.5 t -61.77 -46.28 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.241 -0.912 . . . . 0.0 110.072 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.009 HG23 ' O ' ' A' ' 31' ' ' PHE . 20.8 t -56.92 -44.6 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.205 -0.934 . . . . 0.0 109.857 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.27 -51.3 68.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.0 109.789 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.682 ' CE1' HD11 ' A' ' 41' ' ' ILE . 10.7 t80 -55.35 -44.86 76.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.912 . . . . 0.0 109.578 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' O ' HG12 ' A' ' 42' ' ' ILE . 66.3 t -56.66 -45.08 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.338 -0.851 . . . . 0.0 109.863 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -55.95 -42.62 76.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.23 -0.919 . . . . 0.0 109.668 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -60.1 -39.41 86.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.471 -0.768 . . . . 0.0 109.726 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.682 HD11 ' CE1' ' A' ' 37' ' ' TYR . 20.9 mm -62.07 -40.14 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.328 -0.857 . . . . 0.0 109.87 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 38' ' ' VAL . 22.8 mm -61.51 -47.14 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.362 -0.836 . . . . 0.0 109.958 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -59.81 -36.13 76.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.296 -0.878 . . . . 0.0 110.166 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.499 ' HA ' HD23 ' A' ' 44' ' ' LEU . 6.4 mt -74.0 -43.36 58.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.222 -0.924 . . . . 0.0 110.23 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -49.01 -43.89 40.76 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.225 -0.922 . . . . 0.0 110.15 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' MET . 13.1 t -44.51 -30.08 0.82 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.288 -0.882 . . . . 0.0 110.19 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' O ' ' HD3' ' A' ' 48' ' ' ARG . 2.3 mmtp -60.66 -33.96 73.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.248 -0.907 . . . . 0.0 110.156 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 47' ' ' LYS . 9.3 mmt-85 -120.25 -77.0 0.58 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.248 -0.908 . . . . 0.0 109.994 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 p 47.83 33.23 3.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.264 -0.897 . . . . 0.0 110.205 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -125.97 -30.64 2.96 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.201 -0.937 . . . . 0.0 110.225 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -43.97 -58.83 2.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.21 -0.931 . . . . 0.0 110.328 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.1 mt -54.88 -28.43 50.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.929 . . . . 0.0 110.21 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -78.69 -25.97 44.87 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.175 -0.953 . . . . 0.0 109.64 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 58' ' ' TYR . 20.1 t -75.75 -32.58 60.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.325 -0.859 . . . . 0.0 109.676 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.486 ' O ' ' HB3' ' A' ' 59' ' ' TYR . . . -78.96 -42.31 27.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.331 -0.856 . . . . 0.0 109.955 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.27 -36.8 83.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 0.0 110.07 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.474 ' CE1' HG11 ' A' ' 61' ' ' VAL . 2.1 t80 -83.68 -23.75 31.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 0.0 110.151 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.489 ' CB ' ' O ' ' A' ' 54' ' ' SER . 68.7 t80 -91.29 -8.74 47.38 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.889 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.58 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 34.8 t80 -113.57 10.76 18.15 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.2 -0.937 . . . . 0.0 110.193 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.865 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -149.18 23.06 0.94 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.118 -0.989 . . . . 0.0 110.232 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 60' ' ' ARG . 2.4 t . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.001 -1.0 . . . . 0.0 109.835 -179.972 . . . . . . . . 1 1 . 1 stop_ save_