data_2jy6_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 2jy6 _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 ' 1' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.7 ptt? . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.925 0.393 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -91.6 151.82 20.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.312 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.6 pt -149.19 166.52 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.276 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -123.32 133.67 54.12 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 64.1 t -126.17 104.87 13.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.956 0.407 . . . . 0.0 110.12 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 13.0 tttp -101.66 121.14 41.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.957 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 71.7 p -74.98 168.76 19.33 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.696 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.43 -24.61 67.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.099 0.476 . . . . 0.0 110.543 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 m -76.32 -22.09 55.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.254 0.55 . . . . 0.0 110.43 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.24 14.89 13.53 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.726 -0.75 . . . . 0.0 113.127 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 59.3 tttm -82.72 140.63 32.97 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -111.92 102.39 10.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.865 0.364 . . . . 0.0 110.589 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -98.21 121.58 48.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.079 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 m -92.84 125.55 37.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mp -139.06 175.06 9.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.037 0.446 . . . . 0.0 111.219 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -121.75 138.45 54.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.168 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' A' ' 1' ' ' MET . 17.3 m -149.61 164.33 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 13.0 mm-40 -114.39 152.86 46.46 Favored Pre-proline 0 C--N 1.316 -0.891 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -58.43 -12.46 13.78 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.488 2.125 . . . . 0.0 112.64 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 m -104.55 12.5 33.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.343 . . . . 0.0 111.023 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.2 m-20 -78.75 158.51 28.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.01 0.433 . . . . 0.0 110.673 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.443 ' OG1' ' HB2' ' A' ' 25' ' ' ASN . 7.2 p -108.38 162.62 13.94 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.77 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.6 mm -58.62 -42.92 86.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.061 0.458 . . . . 0.0 110.51 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.22 -40.73 96.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.916 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.443 ' HB2' ' OG1' ' A' ' 22' ' ' THR . 4.9 t30 -59.78 -40.06 86.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.1 t -66.93 -44.51 88.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 81.0 mttt -53.03 -39.8 63.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.621 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.72 93.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.864 0.364 . . . . 0.0 110.439 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 63.0 mttt -58.94 -48.12 82.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.093 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.6 mt -61.55 -40.68 87.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.589 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.56 -38.67 88.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.64 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.91 -45.82 80.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.233 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -66.57 -56.2 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.577 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -84.07 -77.7 0.25 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.796 0.332 . . . . 0.0 111.858 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.23 -12.37 1.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.795 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 mt -67.79 124.58 89.75 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.247 . . . . 0.0 110.616 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.06 139.75 92.12 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.851 2.367 . . . . 0.0 112.185 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -51.78 -26.62 24.33 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.314 2.676 . . . . 0.0 113.786 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -69.87 -23.95 63.34 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.121 0.486 . . . . 0.0 110.731 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -98.61 -0.93 42.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.233 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -93.99 142.5 27.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.072 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.411 ' HD3' HD11 ' B' ' 584' ' ' LEU . 70.8 mtt180 -138.48 127.81 24.45 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.56 113.8 27.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.32 0.581 . . . . 0.0 111.418 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -114.74 131.17 67.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.652 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -126.04 107.94 10.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.906 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.36 29.6 19.14 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.455 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.27 -19.83 52.32 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.267 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -82.03 125.22 30.56 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -77.39 123.36 26.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.579 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.4 mt -88.38 107.81 19.03 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.99 141.93 56.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.815 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' CG ' ' HZ2' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -56.72 -37.65 71.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.926 -178.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.71 41.86 3.07 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.45 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.0 mmt-85 -133.89 167.29 20.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.041 0.448 . . . . 0.0 110.403 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.7 p -112.26 171.95 7.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.344 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.6 mt -75.32 -11.82 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.178 0.514 . . . . 0.0 110.239 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -17.05 32.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.799 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.41 -52.44 39.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -93.44 7.32 45.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 57.41 64.64 1.54 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.1 mm -87.03 124.69 40.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.94 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -101.58 -177.85 3.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.898 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -79.83 156.3 27.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.939 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 63.48 26.62 14.89 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.439 0.462 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -85.33 154.53 21.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.5 m -106.99 105.69 15.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.136 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 3.7 mp -98.76 139.06 35.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.155 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.546 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 38.4 m80 -105.47 115.83 30.92 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.747 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 7' ' ' THR . 13.1 tp -98.42 109.66 22.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.996 0.427 . . . . 0.0 110.32 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.6 t -87.59 137.6 20.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.9 mt -107.35 102.3 11.6 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.87 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.65 101.01 11.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.126 0.489 . . . . 0.0 110.021 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.4 mt -76.57 129.68 36.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.542 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -83.02 -18.15 40.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.491 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.85 -163.96 38.48 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.011 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.973 0 CA-C-O 118.884 -0.953 . . . . 0.0 111.425 -179.874 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.619 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 1.7 m -122.04 82.93 44.1 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.757 0.313 . . . . 0.0 110.641 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -89.61 168.33 4.91 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 539' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' B' ' 542' ' ' ASN . 3.1 pt-20 -92.53 127.89 38.19 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.012 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -72.48 -23.2 61.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.304 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -66.76 -29.01 68.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.12 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 542' ' ' ASN . . . . . 0.47 ' HB2' ' HG3' ' B' ' 539' ' ' GLU . 8.2 t-20 -63.32 123.72 81.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.708 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -61.46 -14.89 37.61 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.0 2.467 . . . . 0.0 113.036 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 544' ' ' GLU . . . . . 0.431 ' HG2' ' CG ' ' B' ' 542' ' ' ASN . 9.8 pt-20 -73.7 -31.51 63.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.986 0.422 . . . . 0.0 109.996 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 46.0 t -87.97 -51.65 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.335 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 546' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' B' ' 547' ' ' PHE . 35.4 mtm180 58.72 37.25 25.14 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.709 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 547' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 2.6 m-85 74.99 -24.23 0.22 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.526 0.73 . . . . 0.0 111.815 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' B' ' 546' ' ' ARG . 6.2 mt-30 68.45 -51.24 0.56 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.99 0.916 . . . . 0.0 113.171 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -89.55 -43.64 10.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.988 -0.445 . . . . 0.0 110.886 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -63.69 -32.31 73.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.0 0.428 . . . . 0.0 110.434 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 14.7 tp -71.52 -19.07 62.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.86 -33.16 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -81.1 -38.49 27.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.859 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.75 -41.13 97.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.133 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 9.5 m -77.35 -23.23 50.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.934 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -79.66 -9.7 59.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.144 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 5.9 mmt -105.42 11.63 32.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.875 0.369 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 74.62 75.69 0.78 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.124 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.68 119.35 8.02 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 29.1 mt -84.62 -10.85 56.97 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 561' ' ' ASN . . . . . 0.598 ' HB3' ' OD1' ' B' ' 565' ' ' ASN . 4.6 t-20 -74.8 148.81 40.01 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.62 -62.78 1.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.79 0.328 . . . . 0.0 111.697 -178.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.25 -53.22 59.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.638 -178.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -53.76 -37.26 63.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.423 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 565' ' ' ASN . . . . . 0.598 ' OD1' ' HB3' ' B' ' 561' ' ' ASN . 3.2 m-20 -63.47 -36.49 83.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.855 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . 0.459 ' O ' HG12 ' B' ' 570' ' ' ILE . 49.2 tp -64.55 -34.64 78.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.338 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -74.23 -45.83 45.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.854 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.89 -35.34 70.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.906 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.99 -32.02 68.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.718 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . 0.459 HG12 ' O ' ' B' ' 566' ' ' LEU . 40.5 mm -75.67 -40.86 40.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.095 0.474 . . . . 0.0 109.905 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.2 71.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.613 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 8.6 p -93.37 -38.19 11.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.39 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 88.83 25.88 28.44 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.656 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 122.02 -16.6 8.75 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.566 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.18 85.14 3.01 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.67 -47.15 92.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.633 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -59.54 -48.86 80.02 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.09 70.97 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.431 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -67.21 -58.22 5.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.436 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 89.1 mt -56.5 -39.22 60.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.83 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -53.16 -58.66 6.28 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.227 0.537 . . . . 0.0 110.436 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -70.88 -35.94 72.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.081 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.23 -43.64 92.36 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 584' ' ' LEU . . . . . 0.411 HD11 ' HD3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -69.02 -23.18 64.04 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.655 -179.533 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -80.1 -50.82 5.31 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.927 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 69.3 m -154.75 -101.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.832 -1.08 . . . . 0.0 108.912 179.653 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -94.83 149.3 21.39 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.509 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 pt -151.31 159.36 4.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.015 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -126.72 137.42 53.25 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.6 t -120.21 119.29 59.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.625 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 88.4 mttt -116.15 124.36 50.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.763 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 71.2 p -80.55 178.42 8.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.221 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.412 ' HG ' ' CG ' ' B' ' 577' ' ' ASN . 43.4 tp -61.36 -38.66 87.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.077 0.465 . . . . 0.0 110.415 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 m -70.22 -24.62 63.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.562 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.95 20.99 8.38 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.611 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.625 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 84.0 tttt -77.76 155.49 31.14 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.49 125.89 52.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.409 . . . . 0.0 111.115 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.4 mt -131.35 125.25 56.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.712 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.28 137.49 32.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.6 mt -141.29 174.79 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.05 0.452 . . . . 0.0 111.456 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' O ' HG12 ' A' ' 17' ' ' VAL . 35.6 tt0 -132.12 133.53 44.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -161.37 158.02 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.285 -178.8 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -101.12 153.68 37.62 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.26 -18.39 58.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.091 1.861 . . . . 0.0 111.598 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.38 -2.29 58.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.847 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.68 153.79 38.74 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.942 0.401 . . . . 0.0 110.635 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -92.03 159.71 15.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.685 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.0 mm -61.5 -40.25 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.545 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.13 -34.79 78.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.997 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.79 -42.13 96.95 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.857 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.73 -46.66 93.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.309 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 91.6 mttt -53.87 -36.5 62.71 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.425 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.27 87.34 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.143 0.497 . . . . 0.0 110.258 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -59.87 -44.81 93.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.926 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.45 -41.43 89.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.487 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.61 -37.63 84.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.196 0.522 . . . . 0.0 110.231 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.34 -44.53 64.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.947 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -69.69 -64.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.189 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -78.97 -63.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.967 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.96 19.22 3.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.977 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 mt -94.21 128.17 41.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.01 136.79 78.78 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.633 2.222 . . . . 0.0 111.938 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.5 -26.51 45.42 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.136 2.557 . . . . 0.0 113.191 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.47 -20.73 62.04 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.877 0.37 . . . . 0.0 110.773 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -99.48 -3.09 34.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.088 0.47 . . . . 0.0 110.103 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -94.26 137.53 33.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.782 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -135.6 130.73 34.89 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 mt -106.4 112.96 26.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.338 0.59 . . . . 0.0 111.511 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.423 ' N ' HD11 ' A' ' 44' ' ' ILE . 1.8 mp -108.0 123.87 63.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.644 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -127.67 111.61 13.91 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.287 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.74 35.74 16.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.878 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.46 -24.51 9.82 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.626 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -83.87 146.14 28.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.792 0.33 . . . . 0.0 110.712 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -94.38 134.11 37.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.859 0.361 . . . . 0.0 110.197 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.6 mt -89.14 126.44 35.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.66 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -73.32 137.74 44.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.747 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.409 ' CG ' ' HZ3' ' A' ' 27' ' ' LYS . 1.1 m-20 -55.36 -39.02 69.56 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.347 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.3 23.36 12.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.6 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -116.57 168.86 9.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.965 0.383 . . . . 0.0 110.438 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.6 p -109.4 166.89 10.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.11 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.3 mt -71.27 -9.48 58.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.027 0.442 . . . . 0.0 110.928 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -17.97 23.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.079 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.13 -40.52 86.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.469 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -101.28 5.63 42.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.377 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 t30 65.51 95.91 0.05 Allowed 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.576 0.548 . . . . 0.0 110.893 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.0 tp -93.65 123.73 45.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.143 0.496 . . . . 0.0 110.336 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.3 pm0 -97.97 155.85 16.9 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -71.79 143.68 49.44 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.367 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 64.23 38.33 8.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.818 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 p -88.26 163.11 16.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.942 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.5 m -111.72 98.65 7.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.211 0.529 . . . . 0.0 111.091 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.4 mt -80.42 122.9 27.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.234 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.45 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 72.3 m80 -100.38 110.87 23.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.903 0.382 . . . . 0.0 110.652 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 7' ' ' THR . 12.5 tp -96.48 103.21 15.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.053 0.454 . . . . 0.0 110.456 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.1 t -89.0 144.38 9.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.4 mt -114.43 138.81 50.1 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.29 117.52 30.43 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.394 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.6 mt -89.09 145.99 25.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.502 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -102.55 -40.07 6.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.324 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.82 -147.78 21.21 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.535 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.153 0 CA-C-O 118.668 -1.073 . . . . 0.0 111.246 -179.483 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.77 83.33 35.94 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-O 120.785 0.326 . . . . 0.0 110.643 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -86.08 148.94 9.35 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.674 2.25 . . . . 0.0 112.429 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 539' ' ' GLU . . . . . 0.406 ' HG3' ' HB2' ' B' ' 542' ' ' ASN . 3.4 pt-20 -71.71 134.8 46.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.861 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 540' ' ' PHE . . . . . 0.419 ' CD1' ' HA ' ' B' ' 547' ' ' PHE . 42.1 m-85 -82.56 -10.46 58.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.934 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -74.85 -25.15 58.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.449 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 542' ' ' ASN . . . . . 0.517 ' OD1' ' HD2' ' B' ' 543' ' ' PRO . 5.0 t-20 -64.35 126.51 90.63 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.931 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 543' ' ' PRO . . . . . 0.517 ' HD2' ' OD1' ' B' ' 542' ' ' ASN . 31.0 Cg_endo -64.14 -14.29 42.77 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.954 2.436 . . . . 0.0 113.081 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -85.43 -2.73 58.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.444 . . . . 0.0 110.379 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 58.7 t -115.77 -58.95 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.058 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 546' ' ' ARG . . . . . 0.463 ' C ' ' H ' ' B' ' 548' ' ' GLN . 0.6 OUTLIER 57.01 49.48 13.79 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.742 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 547' ' ' PHE . . . . . 0.419 ' HA ' ' CD1' ' B' ' 540' ' ' PHE . 0.2 OUTLIER 74.87 -33.07 0.23 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.369 -179.473 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . 0.463 ' H ' ' C ' ' B' ' 546' ' ' ARG . 4.6 tt0 71.1 -45.69 0.62 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.686 0.794 . . . . 0.0 112.752 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -89.41 -51.03 5.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.687 0.28 . . . . 0.0 111.09 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -69.31 -24.17 63.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.089 0.471 . . . . 0.0 110.538 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 16.5 tp -61.49 -26.33 67.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.922 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -81.97 -6.43 59.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.788 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -97.53 -41.37 8.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.493 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.71 -42.92 32.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.386 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 5.9 m -69.14 -22.61 63.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.923 0.392 . . . . 0.0 110.564 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -67.42 -15.97 63.97 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 121.351 0.596 . . . . 0.0 110.684 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 17.3 mmt -88.29 14.72 8.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.34 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 89.44 -1.83 82.38 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.796 -0.638 . . . . 0.0 113.451 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -61.55 124.87 21.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.309 0.576 . . . . 0.0 111.475 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 21.0 mt -91.09 -9.31 46.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.82 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -85.95 164.61 17.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.582 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -133.72 -50.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.77 0.319 . . . . 0.0 110.787 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -61.09 -56.62 18.77 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.282 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.17 66.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.071 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -61.68 -40.51 95.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.349 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . 0.575 ' O ' HG12 ' B' ' 570' ' ' ILE . 55.0 tp -67.34 -36.11 80.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.698 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -70.65 -43.94 68.15 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -58.24 -33.6 69.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.34 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.02 -36.09 64.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.613 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . 0.575 HG12 ' O ' ' B' ' 566' ' ' LEU . 49.3 mm -74.34 -43.84 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.139 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -55.42 -44.19 76.02 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.941 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 8.3 p -77.36 -61.07 2.11 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.262 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 108.79 -7.61 33.65 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.724 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 174.01 -38.35 0.13 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.96 -1.114 . . . . 0.0 113.254 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -76.89 87.32 3.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.129 0.49 . . . . 0.0 110.561 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 576' ' ' ILE . . . . . 0.401 ' O ' HG13 ' B' ' 580' ' ' ILE . 23.3 mt -62.03 -36.08 72.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.96 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 577' ' ' ASN . . . . . 0.412 ' CG ' ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -61.13 -43.61 98.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.918 0.389 . . . . 0.0 110.634 179.424 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -66.51 -33.74 76.37 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.116 0.484 . . . . 0.0 109.944 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -61.72 -55.24 32.41 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.576 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 576' ' ' ILE . 73.8 mt -51.7 -40.12 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.545 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -56.37 -57.15 13.51 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.363 0.601 . . . . 0.0 110.794 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -68.99 -40.36 78.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.766 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 30.7 tp -60.46 -41.19 93.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.977 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 584' ' ' LEU . . . . . 0.414 HD11 HD12 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -70.47 -31.43 68.57 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.63 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -64.37 -72.81 0.64 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.514 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 586' ' ' SER . . . . . 0.418 ' C ' ' HG ' ' B' ' 587' ' ' SER . 74.5 m -145.01 -87.47 0.11 Allowed 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.659 -0.318 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 587' ' ' SER . . . . . 0.418 ' HG ' ' C ' ' B' ' 586' ' ' SER . 27.6 m . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.478 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptt? . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 120.866 0.365 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -110.75 156.6 20.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.431 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -147.92 173.34 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.113 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -117.53 136.62 53.12 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.463 ' HB ' ' HB ' ' A' ' 13' ' ' ILE . 62.8 t -130.68 123.75 55.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 77.6 mttt -117.9 142.65 47.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -90.53 -165.17 1.29 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.021 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mt -66.74 -30.29 70.49 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.309 0.576 . . . . 0.0 110.266 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.14 -36.85 20.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.339 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.53 31.81 1.44 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.26 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.58 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 88.5 tttt -64.44 148.56 50.28 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.56 91.61 4.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.928 0.394 . . . . 0.0 110.256 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.463 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 37.0 mt -101.68 112.29 34.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.933 0.397 . . . . 0.0 111.237 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -87.18 122.99 31.72 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.667 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -133.01 148.39 52.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.023 0.439 . . . . 0.0 111.333 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -99.1 133.26 43.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.322 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 m -152.55 -177.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -137.6 155.61 75.16 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -58.69 -33.16 98.13 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 121.848 1.699 . . . . 0.0 111.372 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -83.45 -0.72 51.32 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.483 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -74.08 142.75 45.62 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.008 0.433 . . . . 0.0 110.536 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 7.1 m -83.72 149.99 26.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.098 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.544 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 29.0 mm -59.32 -42.82 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.881 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.02 -35.23 74.61 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.05 0.452 . . . . 0.0 110.177 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 22' ' ' THR . 64.5 m-20 -60.1 -41.52 92.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.465 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 30' ' ' ILE . 41.3 t -63.7 -45.66 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 7.9 mmmm -52.66 -41.88 64.21 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.839 178.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.71 83.66 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.133 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.32 -45.01 92.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.632 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 26' ' ' VAL . 69.1 mt -60.94 -39.49 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.979 177.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -62.99 -36.74 84.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.295 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -69.53 -48.08 61.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.647 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -67.33 -55.84 12.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.008 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -86.39 -70.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.837 0.351 . . . . 0.0 111.441 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.92 -11.36 4.5 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.061 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.57 125.54 89.86 Favored Pre-proline 0 C--N 1.327 -0.382 0 C-N-CA 122.19 0.196 . . . . 0.0 110.658 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -52.02 138.88 52.59 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.908 2.405 . . . . 0.0 112.153 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.99 -26.4 74.76 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.915 2.41 . . . . 0.0 113.408 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.97 -17.0 61.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 111.314 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -101.96 1.27 36.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.319 0.58 . . . . 0.0 110.125 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -97.28 132.71 42.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.137 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 13.8 mmt180 -125.18 126.65 45.57 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.429 HD12 HG21 ' A' ' 23' ' ' ILE . 23.7 mt -105.8 109.91 22.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.223 0.535 . . . . 0.0 110.963 -178.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -106.19 126.09 61.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.612 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -125.6 99.31 5.95 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.349 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' B' ' 560' ' ' LEU . . . 61.1 43.89 10.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.734 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.69 -31.2 3.98 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.65 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -78.89 123.11 26.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.766 0.317 . . . . 0.0 110.523 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -79.02 131.98 36.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.077 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.2 mt -83.18 124.91 30.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.549 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -75.21 136.62 40.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.337 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.05 -30.36 70.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.631 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.0 20.7 38.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.215 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.9 mmt-85 -122.48 167.92 12.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.913 0.357 . . . . 0.0 110.077 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -110.5 167.96 9.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.756 0.312 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.5 mt -70.2 -10.39 58.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.259 0.552 . . . . 0.0 110.479 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.87 -24.78 24.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.758 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -38.17 82.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.248 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -90.82 4.54 51.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.97 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 59.85 83.43 0.13 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.769 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 tp -67.59 139.77 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.079 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -118.79 -177.63 3.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.951 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 pttp -82.53 150.3 27.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.11 41.72 20.08 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.592 0.557 . . . . 0.0 110.971 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.3 m -77.25 137.57 38.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.229 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -121.09 96.34 5.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.261 0.553 . . . . 0.0 111.182 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -75.89 128.79 35.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.482 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 51.1 m80 -105.27 117.65 34.54 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.075 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.3 tp -92.17 106.75 18.69 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.926 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.488 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 7.4 t -105.43 155.13 6.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.722 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.45 125.44 4.34 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -88.27 127.6 35.46 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.291 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 mt -72.59 156.56 38.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -100.23 -14.11 18.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.078 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.16 153.72 22.49 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.001 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 119.169 -0.795 . . . . 0.0 111.171 179.874 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.879 -0.489 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 1.5 m -119.98 85.19 34.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 120.665 0.269 . . . . 0.0 111.161 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -87.94 169.97 6.32 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.599 2.199 . . . . 0.0 111.544 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.45 124.07 33.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.83 0.347 . . . . 0.0 110.071 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 540' ' ' PHE . . . . . 0.416 ' CD1' ' HA ' ' B' ' 547' ' ' PHE . 21.1 m-85 -67.5 -18.9 65.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.481 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -22.9 66.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.243 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -68.87 126.13 92.5 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.08 -16.69 34.4 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.264 2.643 . . . . 0.0 113.611 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -79.0 -17.51 55.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.006 0.431 . . . . 0.0 110.174 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 13.1 t -101.26 -57.84 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.506 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 546' ' ' ARG . . . . . 0.494 ' C ' ' H ' ' B' ' 548' ' ' GLN . 16.0 mtm180 56.19 47.15 20.01 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.533 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 547' ' ' PHE . . . . . 0.417 ' CE2' HD13 ' B' ' 569' ' ' LEU . 0.2 OUTLIER 73.99 -31.18 0.21 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.205 -179.112 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . 0.494 ' H ' ' C ' ' B' ' 546' ' ' ARG . 19.7 tt0 69.04 -40.69 0.45 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.096 0.958 . . . . 0.0 113.455 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -92.91 -46.86 7.3 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.164 -0.335 . . . . 0.0 110.9 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -71.46 -24.95 62.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.138 0.494 . . . . 0.0 110.514 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.43 -22.1 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.958 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -88.46 -5.83 58.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.212 0.53 . . . . 0.0 109.911 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.0 -43.83 6.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.811 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 24.5 mt -69.57 -41.43 75.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.155 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 6.9 m -74.81 -12.61 60.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.018 0.437 . . . . 0.0 110.597 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -79.59 -15.72 57.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.298 0.571 . . . . 0.0 109.985 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 13.0 mmt -97.24 15.26 23.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.522 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 82.0 81.93 0.87 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.862 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -152.36 113.92 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 560' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 83.9 mt -80.62 -12.46 59.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.741 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -77.17 158.62 30.26 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -123.31 -50.53 1.89 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.668 0.271 . . . . 0.0 111.624 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -68.15 -47.3 68.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.872 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -51.08 -35.48 35.15 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.353 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.99 -41.81 99.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.93 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . 0.426 ' O ' HG12 ' B' ' 570' ' ' ILE . 29.5 tp -65.31 -39.59 92.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.759 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -71.16 -44.7 64.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.128 0.489 . . . . 0.0 109.753 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.4 -37.21 72.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.871 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . 0.417 HD13 ' CE2' ' B' ' 547' ' ' PHE . 0.5 OUTLIER -70.77 -37.41 73.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.573 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 566' ' ' LEU . 42.4 mm -73.96 -45.74 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.528 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.82 70.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.129 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 16.2 p -83.94 -33.82 24.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.866 0.365 . . . . 0.0 111.269 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 98.08 37.81 4.26 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.566 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 89.31 23.3 34.81 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.605 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 575' ' ' ASP . . . . . 0.421 ' HB3' ' HB2' ' B' ' 578' ' ' ALA . 7.3 t70 -113.47 100.72 8.74 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 576' ' ' ILE . . . . . 0.535 ' O ' HG13 ' B' ' 580' ' ' ILE . 11.3 mt -57.16 -56.55 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.368 -178.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -45.42 81.47 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' B' ' 575' ' ' ASP . . . -62.34 -33.89 75.58 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.409 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -66.34 -49.19 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.82 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . 0.535 HG13 ' O ' ' B' ' 576' ' ' ILE . 45.3 mt -53.85 -45.44 62.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.764 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 581' ' ' GLU . . . . . 0.437 ' HA ' HD21 ' B' ' 584' ' ' LEU . 46.7 mt-10 -62.1 -46.42 89.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.268 0.556 . . . . 0.0 110.377 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -66.65 -35.6 80.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.547 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 14.0 tp -71.03 -33.81 70.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.854 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 584' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' B' ' 581' ' ' GLU . 0.3 OUTLIER -66.89 -24.0 66.06 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.07 0.462 . . . . 0.0 109.767 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -84.82 -62.87 1.65 Allowed Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 9.6 m -153.46 -81.15 0.09 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.859 0.361 . . . . 0.0 110.349 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 54.6 m . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.308 -0.853 . . . . 0.0 109.315 -179.883 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.571 ' SD ' ' HG2' ' A' ' 63' ' ' LYS . 27.0 ptt? . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.982 0.42 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -96.75 154.33 17.35 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.355 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.6 pt -150.33 169.94 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.983 0.421 . . . . 0.0 110.109 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -124.75 138.08 54.3 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.399 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 89.8 t -121.9 109.75 25.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 25.5 tttp -111.4 121.02 44.13 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.213 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 77.6 p -87.04 164.26 16.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.642 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.434 ' CD2' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -66.4 -19.78 65.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 179.253 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -5.41 50.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.11 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.28 20.75 34.5 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.287 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 33.0 tttm -96.28 138.77 33.39 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.6 m -124.18 113.66 18.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.995 0.426 . . . . 0.0 110.163 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -117.45 134.6 60.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.348 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -94.33 126.36 39.53 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.16 167.34 20.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.941 0.4 . . . . 0.0 111.287 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -118.25 139.44 51.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.79 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.5 m -149.26 175.54 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 -179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.601 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 15.6 mm-40 -121.57 158.02 55.07 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.0 -27.82 86.1 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.335 2.023 . . . . 0.0 112.115 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -99.16 20.92 12.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.182 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.601 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -79.26 140.85 37.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.975 0.417 . . . . 0.0 110.857 -179.565 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -85.47 148.36 26.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.376 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.8 mm -55.68 -43.44 73.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 121.109 0.481 . . . . 0.0 110.324 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.34 -36.81 84.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.674 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -62.83 -38.69 91.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.261 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.2 t -64.89 -46.22 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 82.8 mttt -52.49 -42.0 63.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.217 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.72 97.57 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.022 0.439 . . . . 0.0 110.234 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -60.61 -46.47 90.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.691 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -61.06 -39.91 83.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.212 177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -62.03 -35.08 77.5 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.351 0.596 . . . . 0.0 110.19 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -71.73 -47.82 51.28 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.465 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -66.47 -60.18 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.304 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.435 ' CD ' ' HZ1' ' A' ' 11' ' ' LYS . 53.1 mm-40 -85.07 -56.35 3.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.94 -5.42 9.02 Favored Glycine 0 C--N 1.321 -0.254 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.094 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.2 mt -71.25 126.04 91.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -56.83 139.75 89.8 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.619 2.212 . . . . 0.0 111.879 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.14 -25.34 45.39 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.023 2.482 . . . . 0.0 113.071 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -72.52 -22.79 60.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.14 0.495 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -97.6 4.11 50.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.439 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -102.25 129.9 48.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.75 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -124.42 131.58 53.5 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mt -109.88 118.12 35.63 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -112.66 120.4 62.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.646 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -128.54 111.96 13.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.517 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.87 43.83 26.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.772 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.07 2.82 83.77 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.203 -0.522 . . . . 0.0 113.439 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -113.01 124.91 53.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.998 0.399 . . . . 0.0 110.798 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -79.96 120.66 24.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.118 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -81.37 120.85 25.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.136 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.427 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 50.0 mt-10 -81.01 148.47 29.72 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.424 ' CG ' ' HZ2' ' A' ' 27' ' ' LYS . 1.6 m-20 -58.67 -35.79 73.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.857 -178.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.64 37.74 3.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.204 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.427 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 25.9 mmt180 -134.1 170.58 15.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.855 0.359 . . . . 0.0 110.161 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.6 p -120.08 169.97 9.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.06 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.426 HD11 ' O ' ' A' ' 18' ' ' GLU . 65.1 mt -70.43 -13.2 62.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.298 0.57 . . . . 0.0 110.192 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -26.18 30.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -64.24 -42.84 96.34 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.367 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -94.93 4.59 53.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 54.37 61.08 3.18 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.818 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.7 mt -83.38 126.76 40.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.467 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -80.66 -179.24 7.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.969 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.571 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 50.7 mtmt -88.65 151.34 22.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.849 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 61.19 39.18 16.14 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.499 0.666 . . . . 0.0 109.847 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.6 m -89.81 158.06 17.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.065 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.3 m -110.25 110.74 21.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.581 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 5.7 mp -102.64 140.78 36.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.133 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.464 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 76.3 m80 -106.6 116.33 31.73 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 7' ' ' THR . 13.4 tp -91.07 129.4 37.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.272 0.558 . . . . 0.0 110.397 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.434 HG12 ' CD2' ' A' ' 8' ' ' LEU . 65.1 t -110.73 138.06 40.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.678 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.8 mt -99.23 -172.33 2.25 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -146.39 99.32 3.21 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.064 0.459 . . . . 0.0 110.115 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.9 mt -78.11 87.66 4.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.035 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -71.45 -24.15 61.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.313 0.578 . . . . 0.0 109.491 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.53 137.75 11.5 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.248 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.813 -0.993 . . . . 0.0 111.495 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.842 0 N-CA-C 111.799 -0.52 . . . . 0.0 111.799 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.81 78.47 69.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.873 0.368 . . . . 0.0 110.943 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -89.09 170.06 5.02 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.562 2.175 . . . . 0.0 112.657 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -85.21 135.12 34.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.276 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -77.06 -15.36 59.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.069 0.461 . . . . 0.0 110.219 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -66.86 -23.3 66.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.314 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 542' ' ' ASN . . . . . 0.463 ' OD1' ' HG2' ' B' ' 544' ' ' GLU . 32.2 t-20 -73.44 123.01 89.03 Favored Pre-proline 0 C--O 1.237 0.397 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.344 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.49 -28.72 37.16 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.528 2.818 . . . . 0.0 113.813 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 544' ' ' GLU . . . . . 0.463 ' HG2' ' OD1' ' B' ' 542' ' ' ASN . 9.1 pt-20 -65.71 -32.44 74.0 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.452 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 40.5 t -81.79 -53.74 11.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.822 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 546' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 59.7 37.21 22.34 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.973 0.416 . . . . 0.0 110.27 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 547' ' ' PHE . . . . . 0.435 ' HB3' ' HB2' ' B' ' 550' ' ' GLN . 0.2 OUTLIER 73.96 -6.99 1.71 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.263 -179.148 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 65.37 -63.28 0.2 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -91.1 -37.29 13.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 550' ' ' GLN . . . . . 0.435 ' HB2' ' HB3' ' B' ' 547' ' ' PHE . 15.3 mm100 -66.95 -29.08 68.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 111.136 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 14.1 tp -64.74 -22.7 67.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.508 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -78.6 -16.43 57.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.184 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -93.3 -40.91 10.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.372 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 4.3 mt -69.83 -40.46 75.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.637 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 13.3 m -74.58 -18.92 60.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.48 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.47 -15.22 63.22 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.331 0.586 . . . . 0.0 110.229 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 47.6 mmm -94.64 12.57 27.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.305 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 71.73 70.04 1.28 Allowed Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.488 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -125.74 133.53 52.05 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 19.4 mt -94.95 -10.37 31.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.783 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -83.35 157.45 22.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 73.8 mmt-85 -129.47 -50.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.622 0.248 . . . . 0.0 111.198 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -64.67 -49.64 70.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.213 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -58.65 -36.62 74.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.02 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.29 -43.84 98.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.327 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . 0.642 ' O ' HG12 ' B' ' 570' ' ' ILE . 65.6 tp -68.39 -35.78 78.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.891 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -69.7 -45.7 67.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.488 0.661 . . . . 0.0 109.698 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -58.75 -32.6 69.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.672 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -35.19 63.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.567 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . 0.642 HG12 ' O ' ' B' ' 566' ' ' LEU . 44.4 mm -71.11 -42.98 75.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -60.3 -35.98 76.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.716 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 4.7 p -85.07 -44.26 13.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.853 0.359 . . . . 0.0 111.352 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 96.24 2.91 60.37 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.422 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 147.08 -24.34 1.59 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.291 -0.956 . . . . 0.0 112.877 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.82 85.64 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.167 0.508 . . . . 0.0 110.131 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 31.1 mt -58.0 -42.94 83.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.693 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -45.31 94.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.481 0.181 . . . . 0.0 111.374 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -65.04 -35.42 81.1 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.814 0.34 . . . . 0.0 110.251 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -61.04 -57.26 13.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.988 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 64.7 mt -52.48 -43.96 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.05 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -61.73 -53.3 57.91 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.944 0.402 . . . . 0.0 111.471 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -69.94 -35.86 74.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.039 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 59.8 tp -56.37 -49.15 75.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 584' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -26.08 60.64 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.705 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -73.87 -41.68 40.62 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.003 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 49.7 m -153.05 -78.83 0.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 C--O 1.246 0.904 0 CA-C-O 117.672 -1.156 . . . . 0.0 108.891 -179.607 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.636 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 22.6 ptt? . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -88.12 150.77 23.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.684 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.417 HG12 HG21 ' A' ' 17' ' ' VAL . 2.7 pt -152.53 178.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -131.28 135.71 47.55 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.0 t -118.09 106.06 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.628 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 24.7 mtpp -106.29 121.17 43.66 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.671 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 74.5 p -79.38 159.86 26.93 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.407 HD22 ' H ' ' A' ' 71' ' ' LEU . 2.4 pt? -59.36 -26.69 65.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.042 0.448 . . . . 0.0 110.556 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -14.97 63.04 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.583 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.05 32.57 6.39 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.065 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.628 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 84.6 tttt -108.1 149.22 28.76 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m -123.99 114.66 20.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.092 0.472 . . . . 0.0 111.688 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mp -112.52 126.62 69.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.111 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.63 143.6 30.88 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -152.13 164.05 38.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.933 0.397 . . . . 0.0 111.525 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.34 136.51 53.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.636 ' O ' ' HG2' ' A' ' 1' ' ' MET . 2.8 m -155.84 154.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 53.7 mm-40 -107.53 155.7 39.17 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.51 -26.85 56.47 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.152 1.901 . . . . 0.0 112.278 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.07 6.11 47.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.975 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -76.69 146.56 38.0 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.584 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.468 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -84.61 152.67 23.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.462 -179.644 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.3 mm -62.1 -41.35 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.17 0.51 . . . . 0.0 110.051 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -65.53 -37.99 88.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.979 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' HB2' ' OG1' ' A' ' 22' ' ' THR . 17.9 t30 -60.04 -38.24 82.15 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.911 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 22' ' ' THR . 49.7 t -66.25 -44.4 91.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -53.9 -38.1 64.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.936 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.28 -41.35 94.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.025 0.44 . . . . 0.0 109.901 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -60.79 -44.66 96.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.731 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.91 -37.48 78.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.019 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.417 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.2 tt0 -64.82 -34.76 79.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.194 0.521 . . . . 0.0 109.79 177.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -69.88 -46.88 64.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.294 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -72.23 -58.99 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.954 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -86.68 -52.28 5.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 111.66 19.65 7.29 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.152 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.2 mt -93.49 130.61 34.79 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.71 132.87 42.18 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.44 2.093 . . . . 0.0 111.76 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -51.11 -24.57 14.92 Favored 'Trans proline' 0 N--CA 1.476 0.465 0 C-N-CA 123.609 2.872 . . . . 0.0 114.079 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.36 -24.04 61.22 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.406 0.622 . . . . 0.0 110.713 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -98.74 -1.32 40.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.121 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -94.46 128.15 40.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.724 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -123.01 125.07 44.54 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.5 mt -107.1 113.98 27.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.117 0.484 . . . . 0.0 110.891 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.35 130.25 68.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.821 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -131.92 119.84 21.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.694 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' B' ' 560' ' ' LEU . . . 63.41 14.51 7.99 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.646 0.591 . . . . 0.0 111.765 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.95 -6.9 48.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.616 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -104.94 133.36 49.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.565 0.221 . . . . 0.0 110.465 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -81.19 127.88 33.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -80.19 121.72 25.95 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.107 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.75 144.25 55.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.609 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.38 -40.93 83.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.63 45.92 3.51 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.813 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 65.5 mmt-85 -139.81 170.56 15.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.6 p -120.5 170.31 9.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.141 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.7 mt -72.32 -5.93 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.219 0.533 . . . . 0.0 110.782 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -19.04 26.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.668 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -70.68 -50.58 35.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.898 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -90.63 3.54 53.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.4 t30 57.49 83.7 0.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.367 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.8 mm -95.96 125.52 48.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.221 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -89.87 -177.94 5.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.012 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 tmmt? -80.76 142.49 33.73 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 61.57 36.17 16.98 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.418 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.6 m -79.66 153.78 29.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.321 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -96.7 90.05 5.16 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.141 0.496 . . . . 0.0 111.323 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -84.0 130.57 34.88 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.578 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 58.3 m80 -104.72 116.4 31.96 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 7' ' ' THR . 19.4 tp -94.31 112.11 23.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.8 t -100.14 142.72 14.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.133 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.407 ' H ' HD22 ' A' ' 8' ' ' LEU . 8.8 mt -130.57 116.26 17.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.496 ' HD3' ' OE1' ' B' ' 581' ' ' GLU . 0.0 OUTLIER -84.15 114.95 22.15 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.4 mt -80.41 135.58 36.19 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.068 0.461 . . . . 0.0 110.991 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -89.47 -34.58 16.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.675 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.36 -143.08 13.99 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.19 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 119.037 -0.868 . . . . 0.0 111.418 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 17.0 m -141.43 82.66 14.13 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.917 0.389 . . . . 0.0 110.253 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -84.21 172.93 9.22 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.902 2.401 . . . . 0.0 112.1 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -93.21 124.87 37.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.919 0.39 . . . . 0.0 110.063 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -66.75 -12.95 60.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.289 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -72.68 -23.27 60.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.523 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.14 126.72 92.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.403 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 543' ' ' PRO . . . . . 0.405 ' O ' ' HG3' ' B' ' 546' ' ' ARG . 36.5 Cg_endo -65.47 -12.76 36.47 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.678 2.252 . . . . 0.0 112.795 -179.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.42 -27.44 31.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.874 0.369 . . . . 0.0 110.425 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 56.6 t -75.59 -49.73 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.002 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 546' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' B' ' 548' ' ' GLN . 8.5 mtm180 57.97 28.1 15.72 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.289 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 73.16 -20.62 0.28 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.557 0.743 . . . . 0.0 112.203 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . 0.44 ' H ' ' C ' ' B' ' 546' ' ' ARG . 26.0 mt-30 70.28 -48.68 0.64 Allowed 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 178.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -97.66 -41.86 7.92 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -176.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -68.94 -39.3 79.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.0 tp -68.06 -18.68 64.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.688 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -76.8 -20.37 56.49 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -94.91 -34.04 12.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.391 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 29.9 mt -72.9 -41.17 64.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.983 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 6.0 t -68.28 -24.91 64.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.305 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -76.1 -27.05 56.99 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.216 0.531 . . . . 0.0 109.743 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 20.7 mmt -82.13 -3.31 54.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.497 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 86.67 99.74 0.8 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.856 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -152.59 149.89 28.94 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 560' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 32.2 mt -113.56 -27.83 7.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.716 0.294 . . . . 0.0 111.653 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -89.57 98.75 11.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.294 0.569 . . . . 0.0 110.633 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -66.32 -43.91 84.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.027 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -63.19 -51.38 66.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.072 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -55.46 -36.25 66.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.217 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -62.2 -41.8 98.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.056 0.455 . . . . 0.0 110.584 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 56.0 tp -65.99 -36.85 84.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.384 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -73.14 -45.62 55.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.165 0.507 . . . . 0.0 110.04 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.04 -37.33 71.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.9 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.88 -36.14 72.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.778 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 33.5 mm -75.13 -43.77 44.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.27 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.11 70.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.884 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 16.3 p -89.78 -9.6 48.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.767 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 79.43 16.32 78.24 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.998 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 114.9 -9.85 21.12 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.311 -0.947 . . . . 0.0 113.162 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -75.1 98.5 3.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.001 0.429 . . . . 0.0 110.56 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 576' ' ' ILE . . . . . 0.413 ' O ' HG13 ' B' ' 580' ' ' ILE . 66.6 mt -56.98 -50.96 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.999 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -47.51 81.58 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -62.13 -34.58 76.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.392 . . . . 0.0 110.492 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -63.64 -51.95 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.597 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 576' ' ' ILE . 69.1 mt -52.95 -48.05 52.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.163 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 581' ' ' GLU . . . . . 0.496 ' OE1' ' HD3' ' A' ' 72' ' ' ARG . 25.5 mt-10 -59.5 -51.72 68.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.161 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -67.69 -38.62 83.94 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 14.0 tp -60.88 -42.29 97.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 584' ' ' LEU . . . . . . . . . . . . . 2.4 pp -97.08 -2.48 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.283 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -73.49 -75.79 0.72 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.445 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 73.2 m -140.2 -76.33 0.33 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.857 0.361 . . . . 0.0 110.386 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.247 0.927 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.421 179.921 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 120.839 0.352 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -101.53 154.74 18.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.001 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.6 pt -148.2 175.11 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.828 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -125.73 139.36 53.6 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 12' ' ' THR . 76.7 t -127.79 127.68 68.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.822 0.344 . . . . 0.0 110.574 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.706 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 24.6 mtpp -125.29 129.92 50.97 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -80.51 178.02 8.6 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.974 0.416 . . . . 0.0 111.662 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.444 ' HG ' ' ND2' ' B' ' 577' ' ' ASN . 35.9 tp -61.67 -28.34 69.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.651 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.89 -44.68 22.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.719 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.4 9.28 1.63 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.609 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.706 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 77.8 tttt -68.59 149.85 48.7 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 1.4 m -120.74 122.99 41.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.859 0.362 . . . . 0.0 111.081 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.2 mt -122.79 125.15 71.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -85.99 128.52 34.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.075 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.1 157.28 46.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.153 0.501 . . . . 0.0 111.733 -179.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -112.43 136.3 52.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.037 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 m -148.79 -179.46 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.493 ' O ' HD12 ' A' ' 56' ' ' LEU . 15.8 mm-40 -123.21 157.24 61.71 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -58.1 -36.21 98.12 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.384 2.056 . . . . 0.0 112.084 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -95.56 16.7 16.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.415 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -77.52 134.42 38.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.052 0.453 . . . . 0.0 110.34 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.21 146.78 38.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.348 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.8 mm -54.81 -42.05 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.695 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -57.06 -42.03 79.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.655 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -59.17 -42.6 91.18 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.222 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 30' ' ' ILE . 18.5 t -63.05 -48.65 86.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.762 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -55.27 -39.21 69.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.231 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.04 94.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.172 0.511 . . . . 0.0 109.829 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.74 -46.71 88.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.625 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 26' ' ' VAL . 72.0 mt -59.08 -40.12 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.333 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.27 -34.05 77.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.122 0.487 . . . . 0.0 110.545 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -68.0 -45.98 72.58 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.294 0.568 . . . . 0.0 110.201 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -71.66 -60.51 2.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.463 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -80.88 -55.64 4.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.28 3.01 15.32 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.967 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 mt -75.69 124.05 88.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -56.65 137.86 82.65 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.478 2.118 . . . . 0.0 111.683 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.4 -27.09 56.63 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.994 2.463 . . . . 0.0 112.953 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -72.22 -16.1 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.232 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -109.04 1.97 20.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.011 0.434 . . . . 0.0 110.613 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -95.85 119.27 34.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.0 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 63.1 mtt180 -118.04 127.86 54.21 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.4 mt -106.06 112.15 25.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.378 0.608 . . . . 0.0 111.572 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -107.38 131.44 57.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -138.72 121.93 16.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.534 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.26 30.71 19.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.741 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.79 11.84 83.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.299 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -124.77 149.52 47.26 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -88.89 135.73 33.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.074 0.464 . . . . 0.0 111.024 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.2 mt -94.89 124.53 38.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.572 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.459 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 42.3 mt-10 -76.76 145.58 38.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.711 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -63.26 -31.86 73.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.818 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.29 22.21 10.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.907 -0.663 . . . . 0.0 113.579 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.459 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 32.0 mmt180 -122.38 164.04 18.7 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.0 p -109.86 170.18 8.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.25 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 18' ' ' GLU . 59.4 mt -70.69 -9.75 57.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.296 0.57 . . . . 0.0 110.182 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.5 -23.44 20.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.328 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.28 -43.54 94.49 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.354 0.597 . . . . 0.0 111.054 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -92.44 5.8 49.41 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.059 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.4 m120 55.23 41.68 31.17 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.329 0.585 . . . . 0.0 110.46 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.5 mt -69.19 130.27 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.847 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.46 169.48 13.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.982 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -72.79 163.79 27.57 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 58.29 33.84 23.51 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 123.578 0.549 . . . . 0.0 110.454 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.61 154.38 32.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.95 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -108.83 85.85 2.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.261 0.553 . . . . 0.0 110.621 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.55 127.99 34.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.91 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.615 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 45.8 m80 -105.56 117.28 33.61 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.225 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.46 ' HA ' ' O ' ' A' ' 42' ' ' ARG . 13.9 tp -88.78 101.71 14.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.613 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 74.0 t -86.19 139.06 17.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.242 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' B' ' 581' ' ' GLU . 25.1 mt -114.49 173.62 6.37 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -132.23 116.62 17.18 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.9 mt -72.85 113.12 9.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.335 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -91.93 -13.61 30.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.106 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.67 132.34 5.56 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.475 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.311 -1.272 . . . . 0.0 111.676 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 112.13 -0.388 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 12.1 m -142.7 91.15 7.5 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 122.637 -0.331 . . . . 0.0 110.578 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -87.36 171.72 6.28 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 122.833 2.355 . . . . 0.0 111.873 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 539' ' ' GLU . . . . . 0.433 ' HG3' ' HB2' ' B' ' 542' ' ' ASN . 3.3 pt-20 -83.5 128.19 34.32 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -70.52 -18.7 62.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -69.45 -22.54 63.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.837 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 542' ' ' ASN . . . . . 0.433 ' HB2' ' HG3' ' B' ' 539' ' ' GLU . 6.0 t-20 -66.22 123.25 84.81 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.011 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.36 -12.98 35.69 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.868 2.379 . . . . 0.0 112.63 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 544' ' ' GLU . . . . . 0.419 ' HG2' ' CG ' ' B' ' 542' ' ' ASN . 10.1 pt-20 -78.95 -14.42 59.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.173 0.511 . . . . 0.0 109.766 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 47.1 t -109.53 -55.28 5.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 546' ' ' ARG . . . . . 0.447 ' C ' ' H ' ' B' ' 548' ' ' GLN . 3.5 mtm180 59.36 44.12 15.65 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.049 -179.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 547' ' ' PHE . . . . . 0.465 ' C ' ' H ' ' B' ' 549' ' ' GLN . 2.6 m-85 74.21 -33.06 0.24 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.806 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' B' ' 546' ' ' ARG . 4.1 tt0 70.79 -33.59 0.27 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.824 0.85 . . . . 0.0 112.144 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 549' ' ' GLN . . . . . 0.465 ' H ' ' C ' ' B' ' 547' ' ' PHE . 13.4 mm100 -95.01 -49.23 5.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.002 0.43 . . . . 0.0 110.546 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.14 -34.66 76.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.254 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 14.4 tp -66.61 -16.03 63.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.134 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' B' ' 549' ' ' GLN . 45.9 tp10 -80.92 -26.0 37.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.774 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -93.05 -35.56 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.889 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 30.1 mt -64.82 -38.61 91.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.148 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 5.2 m -82.53 -11.15 58.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.565 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -76.94 -24.38 52.38 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.646 0.736 . . . . 0.0 109.199 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 20.2 mmt -92.24 7.34 43.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.498 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 82.23 88.84 0.67 Allowed Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.967 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -152.21 123.49 7.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.636 0.255 . . . . 0.0 110.515 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 92.2 mt -95.05 -12.23 26.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.772 0.32 . . . . 0.0 110.97 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 561' ' ' ASN . . . . . 0.422 ' HB3' ' OD1' ' B' ' 565' ' ' ASN . 5.3 t-20 -67.9 145.32 54.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.199 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -116.58 -65.8 1.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.609 0.225 . . . . 0.0 111.609 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -57.53 -59.41 5.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.867 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -51.06 -37.53 46.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.877 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 565' ' ' ASN . . . . . 0.422 ' OD1' ' HB3' ' B' ' 561' ' ' ASN . 5.1 m-20 -61.52 -39.11 89.84 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.039 0.447 . . . . 0.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 42.0 tp -68.04 -40.13 82.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.853 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -72.13 -40.04 68.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.201 0.524 . . . . 0.0 109.897 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -59.28 -37.01 76.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.363 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.28 -38.78 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.106 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 33.4 mm -67.03 -46.11 85.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.046 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -59.09 -33.95 71.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.483 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 572' ' ' THR . . . . . 0.416 HG22 ' N ' ' B' ' 579' ' ' ALA . 10.4 p -89.92 -27.03 20.12 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 83.46 20.42 60.28 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.7 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 122.95 -18.2 8.0 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.24 -0.981 . . . . 0.0 113.684 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -75.34 92.43 2.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.173 0.511 . . . . 0.0 110.461 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 42.9 mt -55.67 -47.98 78.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.109 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 577' ' ' ASN . . . . . 0.444 ' ND2' ' HG ' ' A' ' 8' ' ' LEU . 7.1 m120 -57.88 -46.39 84.95 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -63.1 -37.08 85.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.949 0.404 . . . . 0.0 110.54 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 579' ' ' ALA . . . . . 0.416 ' N ' HG22 ' B' ' 572' ' ' THR . . . -62.49 -55.4 27.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.786 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 91.7 mt -52.93 -44.3 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.224 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 581' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 44.8 mt-10 -60.41 -56.49 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.463 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 19.7 ttt85 -63.83 -37.04 85.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.978 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 17.6 tp -70.62 -15.76 62.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.717 -178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 584' ' ' LEU . . . . . . . . . . . . . 19.3 tp -73.76 -28.46 61.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.925 0.393 . . . . 0.0 110.748 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -109.07 -38.85 1.77 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.508 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 13.0 m -133.74 -158.04 0.85 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.736 0.303 . . . . 0.0 110.384 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.446 -0.787 . . . . 0.0 109.468 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.783 0.325 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -105.16 155.73 18.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.768 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.7 pt -147.27 169.66 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.088 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -121.77 135.93 54.93 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 58.9 t -124.24 124.06 67.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.642 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 93.1 mttt -117.38 122.62 44.34 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.454 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.87 -177.73 6.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.99 -29.15 67.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.625 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -84.89 3.45 38.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.25 31.22 57.59 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.191 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.642 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 73.9 tttt -78.11 156.89 29.7 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -117.01 94.84 4.74 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.839 0.352 . . . . 0.0 110.59 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.3 mt -101.24 118.86 48.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.254 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.95 132.18 36.11 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.067 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.19 163.94 31.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.103 0.478 . . . . 0.0 111.443 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -112.54 135.22 53.5 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.379 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.1 m -146.82 -177.25 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.235 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 14.8 mm-40 -133.63 159.34 72.87 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.97 -30.35 91.49 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.12 1.88 . . . . 0.0 111.113 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.03 26.86 4.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.965 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -91.06 137.47 32.34 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.301 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 26' ' ' VAL . 37.5 p -87.43 152.54 22.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.2 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.6 mm -59.06 -37.56 68.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.91 0.386 . . . . 0.0 110.129 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -61.3 -40.21 93.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.749 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -66.8 -39.71 87.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.578 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 22' ' ' THR . 40.0 t -62.61 -49.97 81.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -54.08 -35.88 62.54 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.961 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.51 92.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.139 0.495 . . . . 0.0 110.387 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -60.54 -49.75 76.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.308 178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.2 mt -60.68 -37.48 75.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.166 0.508 . . . . 0.0 110.143 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -61.38 -37.09 82.14 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.436 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.95 -46.7 50.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.471 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -65.87 -65.91 0.62 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.655 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -78.42 -52.42 8.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.722 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.45 -1.6 14.1 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.925 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.9 mt -69.45 127.51 92.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.55 132.66 36.39 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.474 2.116 . . . . 0.0 111.648 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -52.01 -32.27 47.67 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.089 2.526 . . . . 0.0 113.341 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -69.11 -14.38 62.97 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.198 0.523 . . . . 0.0 111.234 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -109.52 4.04 21.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.066 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -104.31 123.4 47.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.411 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.442 ' O ' HD13 ' A' ' 69' ' ' LEU . 77.4 mtt180 -122.24 135.49 54.76 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.2 mt -110.57 121.17 44.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.224 0.535 . . . . 0.0 112.398 -177.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.68 129.9 66.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.743 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -130.77 109.51 10.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.762 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.74 20.7 10.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.906 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.82 -4.66 49.99 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.816 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -99.61 138.29 36.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.526 0.203 . . . . 0.0 110.503 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -87.94 118.69 27.66 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.8 mt -80.52 119.71 23.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.128 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.45 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 14.4 mt-10 -77.1 149.94 35.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.433 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -47.27 82.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.9 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.4 45.03 2.99 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.261 -0.495 . . . . 0.0 113.571 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.45 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.6 mmt180 -132.51 164.76 25.88 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.2 p -113.67 159.53 19.58 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.264 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.3 mt -67.61 -10.39 51.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.22 0.533 . . . . 0.0 110.48 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -22.24 29.57 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.762 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -67.67 -50.66 56.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.979 0.419 . . . . 0.0 110.911 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -87.93 5.42 40.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.411 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 56.36 51.27 11.75 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.661 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.6 mm -79.3 103.15 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.023 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -82.4 -176.59 6.29 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.308 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -74.21 159.8 32.03 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.948 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 65.0 12.54 7.98 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.01 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.0 m -73.5 150.48 41.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.602 0.239 . . . . 0.0 110.736 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.3 m -105.85 102.11 11.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.187 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 6.1 mp -92.69 133.27 36.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.375 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 75.4 m80 -104.22 118.28 36.26 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.869 0.366 . . . . 0.0 111.01 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 42' ' ' ARG . 27.7 tp -91.29 117.52 29.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.2 t -99.19 131.83 45.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.331 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.1 mt -114.87 88.17 2.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.726 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.448 ' HD3' ' OE1' ' B' ' 581' ' ' GLU . 0.0 OUTLIER -80.62 116.51 20.69 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.9 mt -101.17 165.83 11.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -87.86 -19.08 27.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.684 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.35 -154.38 27.88 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.023 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.92 -0.934 . . . . 0.0 111.78 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 24.3 m -120.87 89.71 45.87 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-O 120.798 0.333 . . . . 0.0 110.24 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.65 168.38 12.7 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.628 2.219 . . . . 0.0 112.266 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -96.3 125.68 40.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -70.26 -11.36 60.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.29 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -74.52 -16.85 60.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.996 0.427 . . . . 0.0 110.206 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -76.19 124.84 88.35 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.016 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.86 -8.88 19.2 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.971 2.447 . . . . 0.0 113.376 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -85.26 -19.22 31.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.094 0.473 . . . . 0.0 110.345 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 59.1 t -92.46 -45.61 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.256 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 546' ' ' ARG . . . . . 0.42 ' C ' ' H ' ' B' ' 548' ' ' GLN . 1.5 mtt180 56.7 39.08 29.89 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.535 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 75.22 -17.24 0.51 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.577 0.751 . . . . 0.0 111.625 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . 0.42 ' H ' ' C ' ' B' ' 546' ' ' ARG . 13.0 tt0 68.22 -52.27 0.54 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -93.55 -40.58 10.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.274 -0.266 . . . . 0.0 111.694 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -69.55 -29.52 67.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.077 0.465 . . . . 0.0 110.748 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' B' ' 555' ' ' SER . 15.1 tp -62.52 -24.25 67.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.709 179.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -80.41 -15.32 57.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.696 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -95.13 -36.5 11.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.956 0.408 . . . . 0.0 110.087 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.25 -37.32 61.06 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 555' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' B' ' 551' ' ' LEU . 0.3 OUTLIER -71.12 -18.76 62.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.892 178.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.44 -23.69 63.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.129 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 557' ' ' MET . . . . . 0.424 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 23.9 mmt -95.77 -11.89 26.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.192 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 87.52 116.31 1.15 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.785 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -154.05 128.56 9.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 26.0 mt -71.78 -28.56 63.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.457 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -85.8 157.02 20.34 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.041 0.448 . . . . 0.0 110.727 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -122.21 -43.97 2.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.782 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -69.42 -42.99 74.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.571 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -56.2 -36.27 68.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.891 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -61.69 -41.88 98.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.332 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 46.0 tp -64.74 -36.16 83.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.873 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -75.09 -40.45 60.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.907 0.384 . . . . 0.0 110.445 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.82 69.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.044 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.66 -33.74 66.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.925 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 21.8 mm -76.32 -42.35 36.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.843 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -57.84 -40.77 80.85 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.215 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 11.5 p -80.37 -50.84 9.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.38 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 109.85 1.43 30.38 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.178 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 147.48 -24.39 1.53 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.55 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -74.21 92.12 2.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.011 0.434 . . . . 0.0 110.689 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 78.2 mt -61.56 -42.09 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.808 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.41 -45.21 94.43 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 122.148 -0.345 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -66.1 -33.68 76.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.064 0.459 . . . . 0.0 109.907 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -60.26 -56.15 24.97 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.772 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 41.9 mt -52.74 -40.21 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.342 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 581' ' ' GLU . . . . . 0.448 ' OE1' ' HD3' ' A' ' 72' ' ' ARG . 18.9 mt-10 -63.38 -49.49 73.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.379 0.609 . . . . 0.0 110.808 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 15.9 ttt85 -73.34 -36.98 66.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.307 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.08 -24.71 67.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.212 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 584' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.16 -22.03 65.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.927 0.394 . . . . 0.0 110.093 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -89.12 -61.81 1.39 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.919 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 586' ' ' SER . . . . . 0.408 ' C ' ' HG ' ' B' ' 587' ' ' SER . 37.5 m -149.04 -90.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.606 -0.349 . . . . 0.0 110.957 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 587' ' ' SER . . . . . 1.205 ' OG ' ' CB ' ' B' ' 587' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.238 0 CA-C-O 118.731 -0.652 . . . . 0.0 110.123 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptt? . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.854 0.359 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -110.09 158.39 18.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.997 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 pt -151.85 -175.43 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.92 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -132.11 137.19 47.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.31 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -128.61 130.02 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.097 0.475 . . . . 0.0 110.525 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -118.14 172.31 7.51 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 p -120.11 -145.1 0.36 Allowed 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.1 tp -75.97 -14.89 60.24 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 p -110.14 -172.0 1.95 Allowed 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.826 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.23 26.54 6.87 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.86 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -69.77 152.85 44.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.701 0.286 . . . . 0.0 110.888 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.0 m -130.02 118.67 21.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.891 0.376 . . . . 0.0 111.231 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mt -117.94 124.4 73.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.309 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.52 139.7 31.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.341 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mt -148.68 141.68 24.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.976 0.417 . . . . 0.0 111.505 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -91.94 134.17 35.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 m -151.31 -172.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -147.1 158.82 44.13 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.09 -38.64 90.78 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 121.88 1.72 . . . . 0.0 111.768 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.56 2.99 23.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.126 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -78.16 131.81 37.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -75.99 152.78 36.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -179.569 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 54' ' ' ARG . 38.5 mm -60.39 -38.89 79.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.525 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -60.59 -39.66 88.91 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 22' ' ' THR . 28.0 m-20 -58.39 -45.32 88.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.758 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.48 -46.61 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.624 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 88.5 mttt -52.69 -42.71 65.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.154 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.33 96.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.98 0.419 . . . . 0.0 109.994 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.25 -45.58 90.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.607 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.6 mt -60.22 -40.38 83.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.238 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.417 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.0 tt0 -63.76 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.565 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -69.42 -50.84 42.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.832 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -67.41 -58.16 5.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.056 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -83.58 -67.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.766 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 125.18 44.47 0.27 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.814 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.1 mt -119.17 124.72 28.03 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.33 131.73 42.55 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.618 2.212 . . . . 0.0 111.839 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -51.72 -24.73 18.62 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 123.527 2.818 . . . . 0.0 114.197 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -72.38 -21.33 61.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.251 0.548 . . . . 0.0 111.037 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -104.21 0.19 29.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.683 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -91.36 128.64 37.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.074 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.541 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 64.7 mtt180 -127.9 121.52 30.2 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 177.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.6 mt -103.64 106.61 17.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.296 0.569 . . . . 0.0 110.896 -177.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -102.79 124.79 57.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.012 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -125.71 110.79 14.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.203 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.66 25.19 14.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.056 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.19 2.97 63.75 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.878 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -115.94 132.56 56.61 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -82.67 126.32 32.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.774 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.83 117.82 21.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.739 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.473 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 37.7 mt-10 -71.51 141.82 50.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.674 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.422 ' CG ' ' HZ3' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -52.85 -39.42 62.55 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.047 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.6 12.58 39.87 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.776 -0.726 . . . . 0.0 114.739 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.473 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.9 mmt180 -108.21 168.59 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.666 0.733 . . . . 0.0 110.453 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.8 p -110.54 171.47 7.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.31 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.1 mt -76.01 0.14 19.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 111.61 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 p -107.12 -12.91 15.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.458 0.646 . . . . 0.0 109.816 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -69.45 -41.58 76.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.197 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.423 ' O ' ' HB3' ' A' ' 60' ' ' ASN . 94.5 m-85 -90.46 19.84 4.98 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.444 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.423 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 29.3 t30 69.77 106.75 0.06 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.165 0.507 . . . . 0.0 110.964 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.6 tp -62.2 134.39 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.417 0.627 . . . . 0.0 111.36 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -130.24 136.01 48.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.561 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 141.7 57.27 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 57.4 54.76 6.3 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.21 124.58 23.85 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.336 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 m -110.11 94.29 4.94 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 121.562 0.696 . . . . 0.0 110.588 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -81.38 130.14 34.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.024 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -107.67 114.77 28.98 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.892 0.377 . . . . 0.0 110.897 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.541 ' HA ' ' O ' ' A' ' 42' ' ' ARG . 14.0 tp -88.6 93.96 9.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.936 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 t -78.99 139.64 18.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.004 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.7 mt -123.77 118.41 27.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.957 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.507 ' HA ' ' OE1' ' B' ' 581' ' ' GLU . 21.9 ttt180 -93.61 125.14 38.06 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.7 mt -82.09 155.26 25.16 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.331 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -101.67 -34.44 9.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.628 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.18 -176.86 15.2 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.677 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.836 -0.98 . . . . 0.0 111.915 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 4.6 m -125.36 83.68 60.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -90.27 171.8 3.67 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.827 2.352 . . . . 0.0 112.906 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -103.07 137.53 41.13 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -77.94 -2.89 39.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.731 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -75.23 -26.38 58.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.949 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -70.25 132.19 88.16 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.838 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 543' ' ' PRO . . . . . 0.462 ' O ' ' HG3' ' B' ' 546' ' ' ARG . 37.2 Cg_endo -65.72 -16.59 53.92 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.985 2.456 . . . . 0.0 112.599 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.49 -28.43 46.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.137 0.494 . . . . 0.0 109.964 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.09 -48.06 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.232 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 546' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' B' ' 543' ' ' PRO . 50.0 mtm180 58.48 33.09 22.82 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.824 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 71.74 -7.34 1.27 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.324 0.65 . . . . 0.0 112.168 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 67.97 -67.26 0.19 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -94.55 -34.2 12.75 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -175.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -66.1 -31.06 71.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.175 0.512 . . . . 0.0 110.548 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 12.1 tp -65.89 -20.42 66.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.637 178.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -79.34 -18.93 51.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.334 0.588 . . . . 0.0 109.938 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -90.02 -35.3 15.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.669 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 4.1 mt -72.57 -40.77 66.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.507 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 15.7 m -70.91 -21.08 62.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.783 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -78.47 -14.05 59.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.257 0.551 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 17.8 mmt -106.46 5.61 29.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.562 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 77.35 99.3 0.18 Allowed Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.826 -0.624 . . . . 0.0 113.048 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 559' ' ' PHE . . . . . 0.451 ' HB3' HD22 ' B' ' 565' ' ' ASN . 5.7 m-85 -149.03 110.25 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 31.1 mt -71.92 -23.01 61.4 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -82.5 164.47 20.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -128.36 -50.86 1.29 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.683 0.278 . . . . 0.0 111.169 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -66.88 -48.6 68.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.719 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -54.24 -35.17 62.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.107 0.48 . . . . 0.0 110.798 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 565' ' ' ASN . . . . . 0.451 HD22 ' HB3' ' B' ' 559' ' ' PHE . 2.5 m-20 -64.05 -40.55 96.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.454 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . 0.423 ' O ' HG12 ' B' ' 570' ' ' ILE . 33.6 tp -67.01 -37.96 85.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.939 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -69.83 -45.12 68.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.185 0.517 . . . . 0.0 109.673 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.25 -33.12 67.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.658 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.91 -39.67 55.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.886 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . 0.423 HG12 ' O ' ' B' ' 566' ' ' LEU . 37.3 mm -67.52 -48.25 77.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.856 0.36 . . . . 0.0 110.319 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -55.84 -40.57 73.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.919 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 19.1 p -78.4 -45.1 23.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.058 0.456 . . . . 0.0 110.435 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 102.66 6.04 47.35 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.134 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 140.62 -24.72 2.61 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.555 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -71.14 89.09 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 576' ' ' ILE . . . . . 0.428 ' O ' HG13 ' B' ' 580' ' ' ILE . 53.2 mt -60.27 -43.34 93.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.363 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.57 -46.29 84.14 Favored 'General case' 0 C--O 1.231 0.126 0 O-C-N 122.446 -0.159 . . . . 0.0 111.225 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . 0.484 ' HA ' ' OE2' ' B' ' 581' ' ' GLU . . . -62.64 -32.66 73.73 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.111 0.482 . . . . 0.0 110.307 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -66.43 -52.12 49.71 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.768 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . 0.428 HG13 ' O ' ' B' ' 576' ' ' ILE . 76.3 mt -52.32 -44.56 42.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.828 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 581' ' ' GLU . . . . . 0.507 ' OE1' ' HA ' ' A' ' 72' ' ' ARG . 38.4 mt-10 -57.08 -55.24 37.28 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.382 0.61 . . . . 0.0 110.579 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -68.97 -45.69 70.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.119 -0.946 . . . . 0.0 113.028 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 23.7 tp -56.31 -38.49 71.34 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 584' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.68 -24.58 63.62 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.065 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -93.16 -61.35 1.14 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.444 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 66.5 m -152.51 140.08 19.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.783 0.325 . . . . 0.0 110.372 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.486 -0.768 . . . . 0.0 110.695 -179.634 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.83 0.348 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -99.56 154.98 17.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.493 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.6 pt -149.46 169.79 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -130.53 138.51 50.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.568 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.422 ' HB ' ' HB ' ' A' ' 13' ' ' ILE . 95.6 t -121.29 117.42 52.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.973 0.416 . . . . 0.0 110.436 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 22.2 mmtp -107.21 119.48 39.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.547 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.5 p -86.25 -175.4 5.49 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.649 0.262 . . . . 0.0 111.094 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.6 -29.91 70.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.08 0.467 . . . . 0.0 110.789 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -0.43 49.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.106 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.36 20.82 68.51 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.471 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.63 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 8.4 tttt -73.69 151.76 40.64 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.66 99.63 7.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.938 0.399 . . . . 0.0 111.215 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.422 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 12.6 mt -98.46 112.56 30.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.691 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -82.68 128.92 34.81 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.029 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.8 mt -137.57 167.71 21.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.076 0.465 . . . . 0.0 111.269 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' O ' HG12 ' A' ' 17' ' ' VAL . 21.4 tt0 -122.73 138.4 54.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.03 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -161.92 -173.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -178.441 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -143.26 154.26 60.64 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.66 -26.53 38.11 Favored 'Trans proline' 0 N--CA 1.476 0.463 0 C-N-CA 123.038 2.492 . . . . 0.0 113.82 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -85.29 -6.36 59.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.83 150.44 36.1 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.876 0.369 . . . . 0.0 110.85 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 4.2 p -89.75 158.95 17.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.247 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.561 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 47.1 mm -62.04 -38.62 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -59.7 -42.49 93.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.995 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -58.16 -35.19 71.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.071 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 30' ' ' ILE . 34.7 t -70.63 -45.39 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.467 178.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 7.9 mmmm -48.91 -46.73 43.32 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.13 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.5 99.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.079 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -58.35 -49.46 77.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.562 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 26' ' ' VAL . 15.1 mt -61.37 -36.09 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.353 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.465 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 58.9 tt0 -63.89 -37.99 89.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.131 0.491 . . . . 0.0 110.327 178.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.95 -45.82 69.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.266 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -68.01 -64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.349 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -80.68 -55.67 4.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.855 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 113.07 40.68 1.04 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.106 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.0 mt -116.62 123.54 30.38 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.46 137.59 72.7 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.553 2.169 . . . . 0.0 111.915 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.88 -24.71 32.43 Favored 'Trans proline' 0 N--CA 1.474 0.332 0 C-N-CA 123.176 2.584 . . . . 0.0 113.282 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -18.22 61.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.725 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -105.8 1.77 27.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.048 0.451 . . . . 0.0 110.737 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.472 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 39.7 mt-30 -105.56 136.57 44.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.197 -178.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -132.84 135.71 45.8 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -110.71 123.52 50.19 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.61 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -116.36 128.73 73.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.011 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -126.5 104.08 7.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.181 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.31 33.3 16.6 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.311 0.577 . . . . 0.0 110.729 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.07 -16.16 59.29 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.451 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -88.68 117.84 27.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.651 0.262 . . . . 0.0 110.389 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -72.77 127.56 32.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.221 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.8 mt -87.57 116.71 25.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.09 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -78.11 145.41 35.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.352 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.21 -32.44 68.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.973 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.35 35.24 3.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.713 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -132.99 162.16 32.43 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 80.4 p -111.3 172.98 6.56 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.31 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.0 mt -73.92 -3.63 30.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.948 0.404 . . . . 0.0 110.526 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.9 m -97.05 -17.14 20.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.192 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.08 -58.02 5.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.988 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -85.53 3.88 38.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.434 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 t30 59.67 74.57 0.44 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.861 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.4 mp -95.15 124.64 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.039 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -86.55 176.63 7.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.871 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.38 142.11 39.46 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.198 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.54 40.99 13.01 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.796 0.808 . . . . 0.0 110.391 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.18 155.57 26.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.11 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 m -103.62 89.96 3.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.311 0.577 . . . . 0.0 110.55 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.11 133.8 35.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.841 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.567 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 9.5 m80 -102.97 114.14 28.18 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.769 0.318 . . . . 0.0 111.246 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.5 tp -90.77 125.25 35.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.038 0.446 . . . . 0.0 110.114 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.03 134.93 48.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.224 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.7 mt -115.81 130.83 57.0 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.11 113.29 25.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.831 0.348 . . . . 0.0 110.717 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.6 mt -67.95 116.21 8.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.51 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -87.21 -18.25 30.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.603 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -124.59 143.79 14.88 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.701 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.572 -1.127 . . . . 0.0 111.371 -179.906 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.996 -0.441 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.88 92.06 45.52 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-O 120.865 0.364 . . . . 0.0 110.523 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -90.61 -161.83 0.11 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.958 2.439 . . . . 0.0 111.778 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -125.0 146.63 49.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.839 0.352 . . . . 0.0 110.103 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -83.99 -14.3 51.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.041 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -69.17 -27.28 65.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.727 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -74.99 121.78 86.03 Favored Pre-proline 0 C--O 1.236 0.393 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.965 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.35 -0.92 6.41 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.969 2.446 . . . . 0.0 113.452 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -82.82 -21.28 34.53 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 6.7 t -101.9 -50.48 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.931 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 546' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' B' ' 547' ' ' PHE . 5.2 mtm180 57.18 49.73 12.99 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.964 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 547' ' ' PHE . . . . . 0.5 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 14.5 m-85 74.93 -37.87 0.36 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.158 0.583 . . . . 0.0 111.872 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . 0.411 ' H ' ' C ' ' B' ' 546' ' ' ARG . 20.2 tt0 73.58 -40.63 0.47 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.767 0.827 . . . . 0.0 112.455 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -96.26 -46.97 6.22 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.877 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -65.85 -32.21 73.6 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 14.4 tp -66.54 -19.11 65.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.864 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . 0.501 ' O ' ' HB3' ' B' ' 556' ' ' ALA . 6.6 tp10 -80.89 -15.01 57.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.184 0.516 . . . . 0.0 110.006 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.42 -35.6 9.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.382 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 52.7 mt -67.82 -43.4 79.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.076 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 5.1 m -76.96 -16.88 59.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.549 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' B' ' 552' ' ' GLU . . . -78.74 -24.27 44.93 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.412 0.625 . . . . 0.0 109.97 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 10.3 mmt -85.42 12.08 9.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.89 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 77.59 78.08 0.79 Allowed Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.805 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -147.43 138.72 23.78 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 36.9 mt -106.73 -15.66 14.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.21 152.05 42.49 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.441 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -114.95 -59.1 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.095 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -65.0 -49.23 71.07 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.591 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.18 81.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.348 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -63.87 -37.5 87.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.081 0.467 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.42 -39.8 95.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.426 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -76.86 -37.69 55.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.926 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.95 75.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.994 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -32.97 71.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.146 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 35.6 mm -73.44 -45.28 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.456 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -55.69 -42.11 74.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.149 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 68.9 p -81.69 -30.17 32.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.802 0.334 . . . . 0.0 111.219 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 97.78 10.93 51.88 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.319 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 128.29 -16.15 6.03 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.72 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -72.61 100.52 2.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.92 0.39 . . . . 0.0 110.496 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.97 -48.67 88.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.093 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.74 -48.4 75.29 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -63.26 -34.24 77.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -62.15 -51.07 69.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.769 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 84.3 mt -54.24 -45.6 67.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.442 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -66.85 -34.63 78.22 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 121.137 0.494 . . . . 0.0 110.624 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -72.89 -40.07 65.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.241 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 15.6 tp -56.77 -53.39 58.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.596 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 584' ' ' LEU . . . . . . . . . . . . . 1.3 pp -93.0 21.06 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.223 0.535 . . . . 0.0 110.806 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -109.22 -65.96 0.57 Allowed Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.813 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 28.9 m -158.55 140.26 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.584 179.833 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -104.56 155.89 18.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.725 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 pt -147.25 174.88 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -121.82 135.41 54.91 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.3 t -123.44 112.72 34.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 4.1 tttp -112.2 127.85 56.07 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.461 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 p -83.93 174.1 10.64 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.051 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.1 mt -66.53 -21.82 66.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.182 0.515 . . . . 0.0 110.196 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.35 -19.88 57.76 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.791 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.18 11.23 39.95 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.935 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 86.6 tttt -76.22 147.32 38.46 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.9 m -117.25 109.02 16.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.162 0.506 . . . . 0.0 110.89 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 mt -105.01 122.89 58.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.618 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.441 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -87.22 123.91 32.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.965 178.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mt -133.25 153.77 51.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.94 0.4 . . . . 0.0 111.441 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -108.93 137.1 47.39 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 m -148.08 -170.54 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.441 ' O ' HD11 ' A' ' 56' ' ' LEU . 5.3 mm-40 -147.18 158.53 44.33 Favored Pre-proline 0 C--N 1.32 -0.713 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.28 -37.65 81.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.213 1.942 . . . . 0.0 112.558 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.84 6.46 24.58 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -75.46 139.87 42.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.925 0.393 . . . . 0.0 110.233 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.83 147.53 28.29 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.763 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.6 mm -56.98 -46.18 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.078 0.466 . . . . 0.0 110.51 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -64.31 -33.13 75.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.456 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -63.84 -38.5 91.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.025 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.55 -44.22 96.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -54.8 -38.22 67.06 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.282 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.73 98.41 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.306 0.574 . . . . 0.0 109.67 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -61.11 -44.84 96.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.218 178.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.4 mt -61.24 -40.57 86.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.228 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -61.41 -33.17 73.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.307 0.575 . . . . 0.0 110.222 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.95 -45.83 55.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.403 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HE3' ' O ' ' A' ' 14' ' ' THR . 54.6 mttm -68.71 -56.47 8.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.295 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -88.49 -61.63 1.67 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.74 -12.06 5.14 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.454 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 mt -70.01 125.42 91.98 Favored Pre-proline 0 C--N 1.323 -0.58 0 O-C-N 122.939 -0.153 . . . . 0.0 110.723 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.71 143.21 91.84 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.686 2.257 . . . . 0.0 112.076 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.02 -24.31 31.94 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.248 2.632 . . . . 0.0 113.856 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.52 -21.55 59.49 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.171 0.51 . . . . 0.0 110.955 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -100.0 1.79 42.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.783 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -101.48 143.43 31.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.29 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -134.23 131.27 38.31 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 176.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.5 mt -108.43 118.7 37.47 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.249 0.547 . . . . 0.0 112.103 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.54 126.93 68.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.862 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -135.98 128.89 31.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.882 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.18 20.47 11.73 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.538 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' B' ' 558' ' ' GLY . . . 93.89 -0.82 67.46 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.751 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -120.9 152.18 38.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.114 0.457 . . . . 0.0 111.359 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -82.32 141.84 32.54 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.396 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.9 mt -98.25 146.8 25.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -90.57 141.24 28.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.151 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.4 -41.32 98.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.028 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.79 47.78 3.87 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.703 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.1 mmt-85 -141.57 163.45 32.9 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.5 p -108.82 163.95 12.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.726 0.298 . . . . 0.0 110.564 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.441 HD11 ' O ' ' A' ' 18' ' ' GLU . 85.4 mt -68.81 -14.83 63.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.214 0.53 . . . . 0.0 109.966 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -24.27 39.1 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.868 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -68.96 -47.13 66.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.813 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -88.72 3.21 51.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 57.95 62.01 2.2 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.072 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.4 mm -79.57 122.93 35.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -96.81 174.16 6.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.985 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -63.32 132.42 51.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.026 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 63.29 41.61 7.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.134 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.8 m -78.24 146.91 34.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -93.94 101.32 13.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.793 0.33 . . . . 0.0 111.572 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -96.76 131.72 43.18 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.533 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 33.9 m80 -102.95 117.48 34.7 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.215 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.2 tp -89.16 118.04 28.58 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.093 0.473 . . . . 0.0 109.938 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.8 t -102.06 136.22 35.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.273 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.2 mt -123.16 114.87 20.88 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.545 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -92.03 129.68 37.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.191 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.2 mt -97.37 134.25 40.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.46 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -86.67 -23.03 25.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.387 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.28 178.41 25.44 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.818 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.793 -1.004 . . . . 0.0 111.544 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.914 -0.474 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.73 91.78 13.11 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -92.47 161.43 2.97 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 122.921 2.414 . . . . 0.0 112.923 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -84.62 118.47 24.39 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -62.48 -23.53 66.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.324 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -64.64 -23.84 67.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.879 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.65 126.24 90.41 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.3 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.96 -16.04 51.6 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.828 2.352 . . . . 0.0 112.413 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.99 -30.35 44.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.152 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 63.8 t -79.55 -49.25 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.335 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 546' ' ' ARG . . . . . 0.536 ' O ' ' HB2' ' B' ' 551' ' ' LEU . 43.5 mtm180 60.48 36.51 20.1 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.469 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 75.24 -21.62 0.29 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.527 0.731 . . . . 0.0 110.972 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 548' ' ' GLN . . . . . 0.455 ' H ' ' C ' ' B' ' 546' ' ' ARG . 7.9 tt0 71.25 -56.18 0.64 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.913 0.885 . . . . 0.0 113.119 178.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -86.22 -56.52 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 550' ' ' GLN . . . . . 0.468 ' OE1' ' HA ' ' B' ' 550' ' ' GLN . 11.1 mm-40 -60.7 -22.83 64.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.786 0.327 . . . . 0.0 111.819 -178.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 34.2 tp -63.61 -24.63 67.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.592 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . 0.507 ' O ' ' HB1' ' B' ' 556' ' ' ALA . 4.0 tp10 -80.32 -12.03 59.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.015 0.436 . . . . 0.0 110.374 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -98.59 -41.25 7.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.933 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 9.6 mt -66.27 -43.12 87.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.821 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 1.7 m -78.12 -17.89 56.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.641 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . 0.507 ' HB1' ' O ' ' B' ' 552' ' ' GLU . . . -74.69 -17.37 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 111.489 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 10.1 mmt -92.22 11.04 27.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . 0.414 ' O ' ' HA2' ' A' ' 47' ' ' GLY . . . 74.4 84.84 0.3 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.557 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -144.04 156.34 44.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.603 0.239 . . . . 0.0 110.543 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 14.1 mt -110.5 -19.3 12.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.247 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 561' ' ' ASN . . . . . 0.415 ' HB3' ' OD1' ' B' ' 565' ' ' ASN . 6.7 t-20 -74.5 146.42 42.74 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.695 -178.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -121.5 -58.72 1.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.652 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -62.38 -53.7 51.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.474 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -56.19 -35.13 66.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.079 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 565' ' ' ASN . . . . . 0.415 ' OD1' ' HB3' ' B' ' 561' ' ' ASN . 5.4 m-20 -64.36 -43.79 93.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.019 0.438 . . . . 0.0 110.296 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 30.9 tp -64.7 -37.06 86.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.209 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -71.41 -42.67 68.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.842 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -56.26 -35.42 67.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.145 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.47 -35.37 68.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.435 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 29.5 mm -73.57 -42.45 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -60.74 -30.63 70.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.523 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 6.5 p -89.62 -40.62 12.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.096 0.474 . . . . 0.0 110.831 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 99.48 7.77 53.54 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.389 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 136.17 -16.42 3.91 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.405 -0.902 . . . . 0.0 113.089 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -76.67 92.69 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.803 0.335 . . . . 0.0 110.623 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 25.1 mt -58.31 -49.52 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.833 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -58.47 -46.3 86.89 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -66.79 -31.66 72.44 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.719 0.295 . . . . 0.0 110.72 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -64.29 -55.24 22.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.748 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 77.8 mt -53.71 -42.21 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.185 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.52 -53.69 54.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.28 0.562 . . . . 0.0 110.064 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 582' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 582' ' ' ARG . 20.6 ttt180 -68.64 -35.18 76.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.091 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 30.4 tp -51.04 -41.54 59.91 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 584' ' ' LEU . . . . . 0.438 ' H ' ' HG ' ' B' ' 584' ' ' LEU . 0.8 OUTLIER -98.8 19.82 14.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.044 0.449 . . . . 0.0 111.07 -179.839 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -122.1 -59.0 0.21 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.408 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 13.9 m -153.63 159.62 42.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.865 0.364 . . . . 0.0 110.894 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 10.2 m . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.687 179.102 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.7 ptt? . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.925 0.393 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -91.6 151.82 20.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.312 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.6 pt -149.19 166.52 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.276 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -123.32 133.67 54.12 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 64.1 t -126.17 104.87 13.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.956 0.407 . . . . 0.0 110.12 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 13.0 tttp -101.66 121.14 41.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.957 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 71.7 p -74.98 168.76 19.33 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.696 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.43 -24.61 67.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.099 0.476 . . . . 0.0 110.543 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 m -76.32 -22.09 55.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.254 0.55 . . . . 0.0 110.43 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.24 14.89 13.53 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.726 -0.75 . . . . 0.0 113.127 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 59.3 tttm -82.72 140.63 32.97 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -111.92 102.39 10.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.865 0.364 . . . . 0.0 110.589 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -98.21 121.58 48.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.079 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 m -92.84 125.55 37.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mp -139.06 175.06 9.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.037 0.446 . . . . 0.0 111.219 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -121.75 138.45 54.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.168 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' A' ' 1' ' ' MET . 17.3 m -149.61 164.33 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 13.0 mm-40 -114.39 152.86 46.46 Favored Pre-proline 0 C--N 1.316 -0.891 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -58.43 -12.46 13.78 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.488 2.125 . . . . 0.0 112.64 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 m -104.55 12.5 33.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.343 . . . . 0.0 111.023 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.2 m-20 -78.75 158.51 28.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.01 0.433 . . . . 0.0 110.673 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.443 ' OG1' ' HB2' ' A' ' 25' ' ' ASN . 7.2 p -108.38 162.62 13.94 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.77 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.6 mm -58.62 -42.92 86.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.061 0.458 . . . . 0.0 110.51 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.22 -40.73 96.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.916 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.443 ' HB2' ' OG1' ' A' ' 22' ' ' THR . 4.9 t30 -59.78 -40.06 86.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.1 t -66.93 -44.51 88.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 81.0 mttt -53.03 -39.8 63.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.621 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.72 93.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.864 0.364 . . . . 0.0 110.439 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 63.0 mttt -58.94 -48.12 82.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.093 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.6 mt -61.55 -40.68 87.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.589 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.56 -38.67 88.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.64 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.91 -45.82 80.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.233 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -66.57 -56.2 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.577 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -84.07 -77.7 0.25 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.796 0.332 . . . . 0.0 111.858 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.23 -12.37 1.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.795 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 mt -67.79 124.58 89.75 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.247 . . . . 0.0 110.616 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.06 139.75 92.12 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.851 2.367 . . . . 0.0 112.185 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -51.78 -26.62 24.33 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.314 2.676 . . . . 0.0 113.786 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -69.87 -23.95 63.34 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.121 0.486 . . . . 0.0 110.731 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -98.61 -0.93 42.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.233 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -93.99 142.5 27.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.072 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.411 ' HD3' HD11 ' B' ' 584' ' ' LEU . 70.8 mtt180 -138.48 127.81 24.45 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.56 113.8 27.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.32 0.581 . . . . 0.0 111.418 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -114.74 131.17 67.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.652 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -126.04 107.94 10.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.906 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.36 29.6 19.14 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.455 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.27 -19.83 52.32 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.267 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -82.03 125.22 30.56 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -77.39 123.36 26.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.579 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.4 mt -88.38 107.81 19.03 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.99 141.93 56.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.815 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' CG ' ' HZ2' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -56.72 -37.65 71.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.926 -178.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.71 41.86 3.07 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.45 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.0 mmt-85 -133.89 167.29 20.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.041 0.448 . . . . 0.0 110.403 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.7 p -112.26 171.95 7.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.344 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.6 mt -75.32 -11.82 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.178 0.514 . . . . 0.0 110.239 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -17.05 32.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.799 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.41 -52.44 39.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -93.44 7.32 45.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 57.41 64.64 1.54 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.1 mm -87.03 124.69 40.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.94 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -101.58 -177.85 3.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.898 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -79.83 156.3 27.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.939 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 63.48 26.62 14.89 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.439 0.462 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -85.33 154.53 21.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.5 m -106.99 105.69 15.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.136 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 3.7 mp -98.76 139.06 35.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.155 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.546 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 38.4 m80 -105.47 115.83 30.92 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.747 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 7' ' ' THR . 13.1 tp -98.42 109.66 22.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.996 0.427 . . . . 0.0 110.32 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.6 t -87.59 137.6 20.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.9 mt -107.35 102.3 11.6 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.87 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.65 101.01 11.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.126 0.489 . . . . 0.0 110.021 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.4 mt -76.57 129.68 36.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.542 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -83.02 -18.15 40.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.491 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.85 -163.96 38.48 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.011 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.973 0 CA-C-O 118.884 -0.953 . . . . 0.0 111.425 -179.874 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.619 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 1.7 m -122.04 82.93 44.1 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.757 0.313 . . . . 0.0 110.641 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -89.61 168.33 4.91 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 539' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' B' ' 542' ' ' ASN . 3.1 pt-20 -92.53 127.89 38.19 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.012 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -72.48 -23.2 61.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.304 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -66.76 -29.01 68.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.12 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 542' ' ' ASN . . . . . 0.47 ' HB2' ' HG3' ' B' ' 539' ' ' GLU . 8.2 t-20 -63.32 123.72 81.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.708 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -61.46 -14.89 37.61 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.0 2.467 . . . . 0.0 113.036 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 544' ' ' GLU . . . . . 0.431 ' HG2' ' CG ' ' B' ' 542' ' ' ASN . 9.8 pt-20 -73.7 -31.51 63.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.986 0.422 . . . . 0.0 109.996 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 46.0 t -87.97 -51.65 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.335 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 546' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' B' ' 547' ' ' PHE . 35.4 mtm180 58.72 37.25 25.14 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.709 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 547' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 2.6 m-85 74.99 -24.23 0.22 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.526 0.73 . . . . 0.0 111.815 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' B' ' 546' ' ' ARG . 6.2 mt-30 68.45 -51.24 0.56 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.99 0.916 . . . . 0.0 113.171 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -89.55 -43.64 10.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.988 -0.445 . . . . 0.0 110.886 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -63.69 -32.31 73.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.0 0.428 . . . . 0.0 110.434 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 14.7 tp -71.52 -19.07 62.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.86 -33.16 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -81.1 -38.49 27.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.859 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.75 -41.13 97.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.133 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 9.5 m -77.35 -23.23 50.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.934 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -79.66 -9.7 59.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.144 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 5.9 mmt -105.42 11.63 32.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.875 0.369 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 74.62 75.69 0.78 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.124 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.68 119.35 8.02 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 29.1 mt -84.62 -10.85 56.97 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 561' ' ' ASN . . . . . 0.598 ' HB3' ' OD1' ' B' ' 565' ' ' ASN . 4.6 t-20 -74.8 148.81 40.01 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.62 -62.78 1.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.79 0.328 . . . . 0.0 111.697 -178.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.25 -53.22 59.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.638 -178.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -53.76 -37.26 63.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.423 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . 0.598 ' OD1' ' HB3' ' B' ' 561' ' ' ASN . 3.2 m-20 -63.47 -36.49 83.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.855 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . 0.459 ' O ' HG12 ' B' ' 570' ' ' ILE . 49.2 tp -64.55 -34.64 78.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.338 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -74.23 -45.83 45.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.854 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.89 -35.34 70.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.906 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.99 -32.02 68.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.718 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . 0.459 HG12 ' O ' ' B' ' 566' ' ' LEU . 40.5 mm -75.67 -40.86 40.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.095 0.474 . . . . 0.0 109.905 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.2 71.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.613 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 8.6 p -93.37 -38.19 11.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.39 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 88.83 25.88 28.44 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.656 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 122.02 -16.6 8.75 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.566 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.18 85.14 3.01 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.67 -47.15 92.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.633 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -59.54 -48.86 80.02 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.09 70.97 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.431 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -67.21 -58.22 5.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.436 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 89.1 mt -56.5 -39.22 60.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.83 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -53.16 -58.66 6.28 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.227 0.537 . . . . 0.0 110.436 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -70.88 -35.94 72.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.081 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.23 -43.64 92.36 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 584' ' ' LEU . . . . . 0.411 HD11 ' HD3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -69.02 -23.18 64.04 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.655 -179.533 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -80.1 -50.82 5.31 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.927 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 69.3 m -154.75 -101.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.832 -1.08 . . . . 0.0 108.912 179.653 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -94.83 149.3 21.39 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.509 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 pt -151.31 159.36 4.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.015 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -126.72 137.42 53.25 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.6 t -120.21 119.29 59.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.625 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 88.4 mttt -116.15 124.36 50.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.763 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 71.2 p -80.55 178.42 8.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.221 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.412 ' HG ' ' CG ' ' B' ' 577' ' ' ASN . 43.4 tp -61.36 -38.66 87.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.077 0.465 . . . . 0.0 110.415 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 m -70.22 -24.62 63.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.562 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.95 20.99 8.38 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.611 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.625 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 84.0 tttt -77.76 155.49 31.14 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.49 125.89 52.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.409 . . . . 0.0 111.115 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.4 mt -131.35 125.25 56.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.712 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.28 137.49 32.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.6 mt -141.29 174.79 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.05 0.452 . . . . 0.0 111.456 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' O ' HG12 ' A' ' 17' ' ' VAL . 35.6 tt0 -132.12 133.53 44.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -161.37 158.02 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.285 -178.8 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -101.12 153.68 37.62 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.26 -18.39 58.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.091 1.861 . . . . 0.0 111.598 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.38 -2.29 58.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.847 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.68 153.79 38.74 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.942 0.401 . . . . 0.0 110.635 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -92.03 159.71 15.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.685 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.0 mm -61.5 -40.25 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.545 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.13 -34.79 78.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.997 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.79 -42.13 96.95 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.857 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.73 -46.66 93.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.309 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 91.6 mttt -53.87 -36.5 62.71 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.425 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.27 87.34 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.143 0.497 . . . . 0.0 110.258 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -59.87 -44.81 93.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.926 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.45 -41.43 89.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.487 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.61 -37.63 84.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.196 0.522 . . . . 0.0 110.231 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.34 -44.53 64.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.947 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -69.69 -64.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.189 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -78.97 -63.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.967 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.96 19.22 3.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.977 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 mt -94.21 128.17 41.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.01 136.79 78.78 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.633 2.222 . . . . 0.0 111.938 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.5 -26.51 45.42 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.136 2.557 . . . . 0.0 113.191 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.47 -20.73 62.04 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.877 0.37 . . . . 0.0 110.773 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -99.48 -3.09 34.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.088 0.47 . . . . 0.0 110.103 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -94.26 137.53 33.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.782 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -135.6 130.73 34.89 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 mt -106.4 112.96 26.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.338 0.59 . . . . 0.0 111.511 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.423 ' N ' HD11 ' A' ' 44' ' ' ILE . 1.8 mp -108.0 123.87 63.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.644 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -127.67 111.61 13.91 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.287 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.74 35.74 16.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.878 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.46 -24.51 9.82 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.626 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -83.87 146.14 28.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.792 0.33 . . . . 0.0 110.712 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -94.38 134.11 37.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.859 0.361 . . . . 0.0 110.197 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.6 mt -89.14 126.44 35.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.66 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -73.32 137.74 44.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.747 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' CG ' ' HZ3' ' A' ' 27' ' ' LYS . 1.1 m-20 -55.36 -39.02 69.56 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.347 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.3 23.36 12.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.6 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -116.57 168.86 9.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.965 0.383 . . . . 0.0 110.438 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.6 p -109.4 166.89 10.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.11 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.3 mt -71.27 -9.48 58.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.027 0.442 . . . . 0.0 110.928 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -17.97 23.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.079 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.13 -40.52 86.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.469 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -101.28 5.63 42.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.377 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 t30 65.51 95.91 0.05 Allowed 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.576 0.548 . . . . 0.0 110.893 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.0 tp -93.65 123.73 45.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.143 0.496 . . . . 0.0 110.336 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.3 pm0 -97.97 155.85 16.9 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -71.79 143.68 49.44 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.367 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 64.23 38.33 8.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.818 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 p -88.26 163.11 16.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.942 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.5 m -111.72 98.65 7.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.211 0.529 . . . . 0.0 111.091 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.4 mt -80.42 122.9 27.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.234 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.45 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 72.3 m80 -100.38 110.87 23.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.903 0.382 . . . . 0.0 110.652 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 7' ' ' THR . 12.5 tp -96.48 103.21 15.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.053 0.454 . . . . 0.0 110.456 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.1 t -89.0 144.38 9.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.4 mt -114.43 138.81 50.1 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.29 117.52 30.43 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.394 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.6 mt -89.09 145.99 25.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.502 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -102.55 -40.07 6.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.324 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.82 -147.78 21.21 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.535 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.153 0 CA-C-O 118.668 -1.073 . . . . 0.0 111.246 -179.483 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.77 83.33 35.94 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-O 120.785 0.326 . . . . 0.0 110.643 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -86.08 148.94 9.35 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.674 2.25 . . . . 0.0 112.429 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 539' ' ' GLU . . . . . 0.406 ' HG3' ' HB2' ' B' ' 542' ' ' ASN . 3.4 pt-20 -71.71 134.8 46.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.861 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 540' ' ' PHE . . . . . 0.419 ' CD1' ' HA ' ' B' ' 547' ' ' PHE . 42.1 m-85 -82.56 -10.46 58.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.934 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -74.85 -25.15 58.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.449 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 542' ' ' ASN . . . . . 0.517 ' OD1' ' HD2' ' B' ' 543' ' ' PRO . 5.0 t-20 -64.35 126.51 90.63 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.931 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 543' ' ' PRO . . . . . 0.517 ' HD2' ' OD1' ' B' ' 542' ' ' ASN . 31.0 Cg_endo -64.14 -14.29 42.77 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.954 2.436 . . . . 0.0 113.081 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -85.43 -2.73 58.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.444 . . . . 0.0 110.379 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 58.7 t -115.77 -58.95 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.058 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 546' ' ' ARG . . . . . 0.463 ' C ' ' H ' ' B' ' 548' ' ' GLN . 0.6 OUTLIER 57.01 49.48 13.79 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.742 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 547' ' ' PHE . . . . . 0.419 ' HA ' ' CD1' ' B' ' 540' ' ' PHE . 0.2 OUTLIER 74.87 -33.07 0.23 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.369 -179.473 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . 0.463 ' H ' ' C ' ' B' ' 546' ' ' ARG . 4.6 tt0 71.1 -45.69 0.62 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.686 0.794 . . . . 0.0 112.752 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -89.41 -51.03 5.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.687 0.28 . . . . 0.0 111.09 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -69.31 -24.17 63.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.089 0.471 . . . . 0.0 110.538 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 16.5 tp -61.49 -26.33 67.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.922 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -81.97 -6.43 59.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.788 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -97.53 -41.37 8.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.493 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.71 -42.92 32.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.386 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 5.9 m -69.14 -22.61 63.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.923 0.392 . . . . 0.0 110.564 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -67.42 -15.97 63.97 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 121.351 0.596 . . . . 0.0 110.684 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 17.3 mmt -88.29 14.72 8.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.34 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 89.44 -1.83 82.38 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.796 -0.638 . . . . 0.0 113.451 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -61.55 124.87 21.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.309 0.576 . . . . 0.0 111.475 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 21.0 mt -91.09 -9.31 46.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.82 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -85.95 164.61 17.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.582 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -133.72 -50.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.77 0.319 . . . . 0.0 110.787 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -61.09 -56.62 18.77 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.282 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.17 66.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.071 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -61.68 -40.51 95.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.349 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . 0.575 ' O ' HG12 ' B' ' 570' ' ' ILE . 55.0 tp -67.34 -36.11 80.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.698 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -70.65 -43.94 68.15 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -58.24 -33.6 69.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.34 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.02 -36.09 64.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.613 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . 0.575 HG12 ' O ' ' B' ' 566' ' ' LEU . 49.3 mm -74.34 -43.84 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.139 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -55.42 -44.19 76.02 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.941 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 8.3 p -77.36 -61.07 2.11 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.262 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 108.79 -7.61 33.65 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.724 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 174.01 -38.35 0.13 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.96 -1.114 . . . . 0.0 113.254 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -76.89 87.32 3.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.129 0.49 . . . . 0.0 110.561 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 576' ' ' ILE . . . . . 0.401 ' O ' HG13 ' B' ' 580' ' ' ILE . 23.3 mt -62.03 -36.08 72.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.96 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . 0.412 ' CG ' ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -61.13 -43.61 98.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.918 0.389 . . . . 0.0 110.634 179.424 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -66.51 -33.74 76.37 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.116 0.484 . . . . 0.0 109.944 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -61.72 -55.24 32.41 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.576 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 576' ' ' ILE . 73.8 mt -51.7 -40.12 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.545 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -56.37 -57.15 13.51 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.363 0.601 . . . . 0.0 110.794 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -68.99 -40.36 78.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.766 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 30.7 tp -60.46 -41.19 93.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.977 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 584' ' ' LEU . . . . . 0.414 HD11 HD12 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -70.47 -31.43 68.57 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.63 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -64.37 -72.81 0.64 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.514 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 586' ' ' SER . . . . . 0.418 ' C ' ' HG ' ' B' ' 587' ' ' SER . 74.5 m -145.01 -87.47 0.11 Allowed 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.659 -0.318 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 587' ' ' SER . . . . . 0.418 ' HG ' ' C ' ' B' ' 586' ' ' SER . 27.6 m . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.478 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptt? . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 120.866 0.365 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -110.75 156.6 20.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.431 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -147.92 173.34 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.113 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -117.53 136.62 53.12 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.463 ' HB ' ' HB ' ' A' ' 13' ' ' ILE . 62.8 t -130.68 123.75 55.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 77.6 mttt -117.9 142.65 47.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -90.53 -165.17 1.29 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.021 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mt -66.74 -30.29 70.49 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.309 0.576 . . . . 0.0 110.266 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.14 -36.85 20.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.339 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.53 31.81 1.44 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.26 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.58 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 88.5 tttt -64.44 148.56 50.28 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.56 91.61 4.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.928 0.394 . . . . 0.0 110.256 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.463 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 37.0 mt -101.68 112.29 34.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.933 0.397 . . . . 0.0 111.237 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -87.18 122.99 31.72 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.667 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -133.01 148.39 52.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.023 0.439 . . . . 0.0 111.333 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -99.1 133.26 43.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.322 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 m -152.55 -177.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -137.6 155.61 75.16 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -58.69 -33.16 98.13 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 121.848 1.699 . . . . 0.0 111.372 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -83.45 -0.72 51.32 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.483 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -74.08 142.75 45.62 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.008 0.433 . . . . 0.0 110.536 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 7.1 m -83.72 149.99 26.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.098 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.544 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 29.0 mm -59.32 -42.82 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.881 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.02 -35.23 74.61 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.05 0.452 . . . . 0.0 110.177 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 22' ' ' THR . 64.5 m-20 -60.1 -41.52 92.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.465 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 30' ' ' ILE . 41.3 t -63.7 -45.66 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 7.9 mmmm -52.66 -41.88 64.21 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.839 178.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.71 83.66 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.133 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.32 -45.01 92.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.632 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 26' ' ' VAL . 69.1 mt -60.94 -39.49 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.979 177.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -62.99 -36.74 84.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.295 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -69.53 -48.08 61.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.647 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -67.33 -55.84 12.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.008 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -86.39 -70.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.837 0.351 . . . . 0.0 111.441 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.92 -11.36 4.5 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.061 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.57 125.54 89.86 Favored Pre-proline 0 C--N 1.327 -0.382 0 C-N-CA 122.19 0.196 . . . . 0.0 110.658 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -52.02 138.88 52.59 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.908 2.405 . . . . 0.0 112.153 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.99 -26.4 74.76 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.915 2.41 . . . . 0.0 113.408 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.97 -17.0 61.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 111.314 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -101.96 1.27 36.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.319 0.58 . . . . 0.0 110.125 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -97.28 132.71 42.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.137 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 13.8 mmt180 -125.18 126.65 45.57 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.429 HD12 HG21 ' A' ' 23' ' ' ILE . 23.7 mt -105.8 109.91 22.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.223 0.535 . . . . 0.0 110.963 -178.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -106.19 126.09 61.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.612 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -125.6 99.31 5.95 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.349 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' B' ' 560' ' ' LEU . . . 61.1 43.89 10.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.734 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.69 -31.2 3.98 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.65 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -78.89 123.11 26.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.766 0.317 . . . . 0.0 110.523 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -79.02 131.98 36.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.077 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.2 mt -83.18 124.91 30.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.549 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -75.21 136.62 40.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.337 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.05 -30.36 70.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.631 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.0 20.7 38.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.215 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.9 mmt-85 -122.48 167.92 12.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.913 0.357 . . . . 0.0 110.077 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -110.5 167.96 9.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.756 0.312 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.5 mt -70.2 -10.39 58.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.259 0.552 . . . . 0.0 110.479 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.87 -24.78 24.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.758 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -38.17 82.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.248 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -90.82 4.54 51.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.97 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 59.85 83.43 0.13 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.769 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 tp -67.59 139.77 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.079 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -118.79 -177.63 3.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.951 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 pttp -82.53 150.3 27.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.11 41.72 20.08 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.592 0.557 . . . . 0.0 110.971 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.3 m -77.25 137.57 38.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.229 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -121.09 96.34 5.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.261 0.553 . . . . 0.0 111.182 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -75.89 128.79 35.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.482 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 51.1 m80 -105.27 117.65 34.54 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.075 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.3 tp -92.17 106.75 18.69 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.926 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.488 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 7.4 t -105.43 155.13 6.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.722 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.45 125.44 4.34 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -88.27 127.6 35.46 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.291 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 mt -72.59 156.56 38.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -100.23 -14.11 18.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.078 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.16 153.72 22.49 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.001 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 119.169 -0.795 . . . . 0.0 111.171 179.874 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.879 -0.489 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 1.5 m -119.98 85.19 34.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 120.665 0.269 . . . . 0.0 111.161 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -87.94 169.97 6.32 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.599 2.199 . . . . 0.0 111.544 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.45 124.07 33.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.83 0.347 . . . . 0.0 110.071 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 540' ' ' PHE . . . . . 0.416 ' CD1' ' HA ' ' B' ' 547' ' ' PHE . 21.1 m-85 -67.5 -18.9 65.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.481 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -22.9 66.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.243 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -68.87 126.13 92.5 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.08 -16.69 34.4 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.264 2.643 . . . . 0.0 113.611 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -79.0 -17.51 55.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.006 0.431 . . . . 0.0 110.174 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 13.1 t -101.26 -57.84 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.506 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 546' ' ' ARG . . . . . 0.494 ' C ' ' H ' ' B' ' 548' ' ' GLN . 16.0 mtm180 56.19 47.15 20.01 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.533 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 547' ' ' PHE . . . . . 0.417 ' CE2' HD13 ' B' ' 569' ' ' LEU . 0.2 OUTLIER 73.99 -31.18 0.21 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.205 -179.112 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . 0.494 ' H ' ' C ' ' B' ' 546' ' ' ARG . 19.7 tt0 69.04 -40.69 0.45 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.096 0.958 . . . . 0.0 113.455 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -92.91 -46.86 7.3 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.164 -0.335 . . . . 0.0 110.9 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -71.46 -24.95 62.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.138 0.494 . . . . 0.0 110.514 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.43 -22.1 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.958 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -88.46 -5.83 58.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.212 0.53 . . . . 0.0 109.911 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.0 -43.83 6.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.811 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 24.5 mt -69.57 -41.43 75.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.155 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 6.9 m -74.81 -12.61 60.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.018 0.437 . . . . 0.0 110.597 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -79.59 -15.72 57.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.298 0.571 . . . . 0.0 109.985 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 13.0 mmt -97.24 15.26 23.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.522 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 82.0 81.93 0.87 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.862 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -152.36 113.92 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 560' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 83.9 mt -80.62 -12.46 59.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.741 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -77.17 158.62 30.26 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -123.31 -50.53 1.89 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.668 0.271 . . . . 0.0 111.624 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -68.15 -47.3 68.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.872 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -51.08 -35.48 35.15 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.353 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.99 -41.81 99.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.93 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . 0.426 ' O ' HG12 ' B' ' 570' ' ' ILE . 29.5 tp -65.31 -39.59 92.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.759 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -71.16 -44.7 64.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.128 0.489 . . . . 0.0 109.753 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.4 -37.21 72.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.871 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . 0.417 HD13 ' CE2' ' B' ' 547' ' ' PHE . 0.5 OUTLIER -70.77 -37.41 73.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.573 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 566' ' ' LEU . 42.4 mm -73.96 -45.74 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.528 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.82 70.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.129 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 16.2 p -83.94 -33.82 24.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.866 0.365 . . . . 0.0 111.269 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 98.08 37.81 4.26 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.566 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 89.31 23.3 34.81 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.605 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 575' ' ' ASP . . . . . 0.421 ' HB3' ' HB2' ' B' ' 578' ' ' ALA . 7.3 t70 -113.47 100.72 8.74 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 576' ' ' ILE . . . . . 0.535 ' O ' HG13 ' B' ' 580' ' ' ILE . 11.3 mt -57.16 -56.55 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.368 -178.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -45.42 81.47 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' B' ' 575' ' ' ASP . . . -62.34 -33.89 75.58 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.409 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -66.34 -49.19 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.82 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . 0.535 HG13 ' O ' ' B' ' 576' ' ' ILE . 45.3 mt -53.85 -45.44 62.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.764 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 581' ' ' GLU . . . . . 0.437 ' HA ' HD21 ' B' ' 584' ' ' LEU . 46.7 mt-10 -62.1 -46.42 89.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.268 0.556 . . . . 0.0 110.377 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -66.65 -35.6 80.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.547 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 14.0 tp -71.03 -33.81 70.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.854 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 584' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' B' ' 581' ' ' GLU . 0.3 OUTLIER -66.89 -24.0 66.06 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.07 0.462 . . . . 0.0 109.767 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -84.82 -62.87 1.65 Allowed Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 9.6 m -153.46 -81.15 0.09 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.859 0.361 . . . . 0.0 110.349 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 54.6 m . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.308 -0.853 . . . . 0.0 109.315 -179.883 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.571 ' SD ' ' HG2' ' A' ' 63' ' ' LYS . 27.0 ptt? . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.982 0.42 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -96.75 154.33 17.35 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.355 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.6 pt -150.33 169.94 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.983 0.421 . . . . 0.0 110.109 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -124.75 138.08 54.3 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.399 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 89.8 t -121.9 109.75 25.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 25.5 tttp -111.4 121.02 44.13 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.213 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 77.6 p -87.04 164.26 16.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.642 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.434 ' CD2' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -66.4 -19.78 65.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 179.253 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -5.41 50.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.11 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.28 20.75 34.5 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.287 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 33.0 tttm -96.28 138.77 33.39 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.6 m -124.18 113.66 18.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.995 0.426 . . . . 0.0 110.163 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -117.45 134.6 60.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.348 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -94.33 126.36 39.53 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.16 167.34 20.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.941 0.4 . . . . 0.0 111.287 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -118.25 139.44 51.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.79 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.5 m -149.26 175.54 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 -179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.601 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 15.6 mm-40 -121.57 158.02 55.07 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.0 -27.82 86.1 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.335 2.023 . . . . 0.0 112.115 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -99.16 20.92 12.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.182 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.601 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -79.26 140.85 37.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.975 0.417 . . . . 0.0 110.857 -179.565 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -85.47 148.36 26.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.376 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.8 mm -55.68 -43.44 73.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 121.109 0.481 . . . . 0.0 110.324 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.34 -36.81 84.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.674 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -62.83 -38.69 91.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.261 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.2 t -64.89 -46.22 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 82.8 mttt -52.49 -42.0 63.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.217 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.72 97.57 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.022 0.439 . . . . 0.0 110.234 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -60.61 -46.47 90.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.691 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -61.06 -39.91 83.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.212 177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -62.03 -35.08 77.5 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.351 0.596 . . . . 0.0 110.19 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -71.73 -47.82 51.28 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.465 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -66.47 -60.18 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.304 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.435 ' CD ' ' HZ1' ' A' ' 11' ' ' LYS . 53.1 mm-40 -85.07 -56.35 3.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.94 -5.42 9.02 Favored Glycine 0 C--N 1.321 -0.254 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.094 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.2 mt -71.25 126.04 91.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -56.83 139.75 89.8 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.619 2.212 . . . . 0.0 111.879 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.14 -25.34 45.39 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.023 2.482 . . . . 0.0 113.071 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -72.52 -22.79 60.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.14 0.495 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -97.6 4.11 50.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.439 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -102.25 129.9 48.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.75 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -124.42 131.58 53.5 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mt -109.88 118.12 35.63 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -112.66 120.4 62.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.646 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -128.54 111.96 13.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.517 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.87 43.83 26.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.772 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.07 2.82 83.77 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.203 -0.522 . . . . 0.0 113.439 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -113.01 124.91 53.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.998 0.399 . . . . 0.0 110.798 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -79.96 120.66 24.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.118 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -81.37 120.85 25.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.136 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 50.0 mt-10 -81.01 148.47 29.72 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.424 ' CG ' ' HZ2' ' A' ' 27' ' ' LYS . 1.6 m-20 -58.67 -35.79 73.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.857 -178.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.64 37.74 3.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.204 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.427 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 25.9 mmt180 -134.1 170.58 15.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.855 0.359 . . . . 0.0 110.161 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.6 p -120.08 169.97 9.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.06 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.426 HD11 ' O ' ' A' ' 18' ' ' GLU . 65.1 mt -70.43 -13.2 62.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.298 0.57 . . . . 0.0 110.192 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -26.18 30.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -64.24 -42.84 96.34 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.367 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -94.93 4.59 53.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 54.37 61.08 3.18 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.818 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.7 mt -83.38 126.76 40.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.467 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -80.66 -179.24 7.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.969 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.571 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 50.7 mtmt -88.65 151.34 22.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.849 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 61.19 39.18 16.14 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.499 0.666 . . . . 0.0 109.847 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.6 m -89.81 158.06 17.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.065 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.3 m -110.25 110.74 21.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.581 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 5.7 mp -102.64 140.78 36.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.133 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.464 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 76.3 m80 -106.6 116.33 31.73 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 7' ' ' THR . 13.4 tp -91.07 129.4 37.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.272 0.558 . . . . 0.0 110.397 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.434 HG12 ' CD2' ' A' ' 8' ' ' LEU . 65.1 t -110.73 138.06 40.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.678 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.8 mt -99.23 -172.33 2.25 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -146.39 99.32 3.21 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.064 0.459 . . . . 0.0 110.115 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.9 mt -78.11 87.66 4.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.035 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -71.45 -24.15 61.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.313 0.578 . . . . 0.0 109.491 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.53 137.75 11.5 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.248 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.813 -0.993 . . . . 0.0 111.495 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.842 0 N-CA-C 111.799 -0.52 . . . . 0.0 111.799 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.81 78.47 69.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.873 0.368 . . . . 0.0 110.943 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -89.09 170.06 5.02 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.562 2.175 . . . . 0.0 112.657 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -85.21 135.12 34.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.276 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -77.06 -15.36 59.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.069 0.461 . . . . 0.0 110.219 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -66.86 -23.3 66.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.314 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 542' ' ' ASN . . . . . 0.463 ' OD1' ' HG2' ' B' ' 544' ' ' GLU . 32.2 t-20 -73.44 123.01 89.03 Favored Pre-proline 0 C--O 1.237 0.397 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.344 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.49 -28.72 37.16 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.528 2.818 . . . . 0.0 113.813 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 544' ' ' GLU . . . . . 0.463 ' HG2' ' OD1' ' B' ' 542' ' ' ASN . 9.1 pt-20 -65.71 -32.44 74.0 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.452 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 40.5 t -81.79 -53.74 11.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.822 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 546' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 59.7 37.21 22.34 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.973 0.416 . . . . 0.0 110.27 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 547' ' ' PHE . . . . . 0.435 ' HB3' ' HB2' ' B' ' 550' ' ' GLN . 0.2 OUTLIER 73.96 -6.99 1.71 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.263 -179.148 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 65.37 -63.28 0.2 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -91.1 -37.29 13.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 550' ' ' GLN . . . . . 0.435 ' HB2' ' HB3' ' B' ' 547' ' ' PHE . 15.3 mm100 -66.95 -29.08 68.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 111.136 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 14.1 tp -64.74 -22.7 67.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.508 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -78.6 -16.43 57.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.184 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -93.3 -40.91 10.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.372 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 4.3 mt -69.83 -40.46 75.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.637 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 13.3 m -74.58 -18.92 60.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.48 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.47 -15.22 63.22 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.331 0.586 . . . . 0.0 110.229 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 47.6 mmm -94.64 12.57 27.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.305 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 71.73 70.04 1.28 Allowed Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.488 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -125.74 133.53 52.05 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 19.4 mt -94.95 -10.37 31.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.783 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -83.35 157.45 22.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 73.8 mmt-85 -129.47 -50.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.622 0.248 . . . . 0.0 111.198 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -64.67 -49.64 70.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.213 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -58.65 -36.62 74.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.02 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.29 -43.84 98.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.327 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . 0.642 ' O ' HG12 ' B' ' 570' ' ' ILE . 65.6 tp -68.39 -35.78 78.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.891 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -69.7 -45.7 67.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.488 0.661 . . . . 0.0 109.698 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -58.75 -32.6 69.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.672 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -35.19 63.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.567 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . 0.642 HG12 ' O ' ' B' ' 566' ' ' LEU . 44.4 mm -71.11 -42.98 75.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -60.3 -35.98 76.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.716 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 4.7 p -85.07 -44.26 13.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.853 0.359 . . . . 0.0 111.352 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 96.24 2.91 60.37 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.422 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 147.08 -24.34 1.59 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.291 -0.956 . . . . 0.0 112.877 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.82 85.64 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.167 0.508 . . . . 0.0 110.131 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 31.1 mt -58.0 -42.94 83.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.693 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -45.31 94.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.481 0.181 . . . . 0.0 111.374 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -65.04 -35.42 81.1 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.814 0.34 . . . . 0.0 110.251 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -61.04 -57.26 13.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.988 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 64.7 mt -52.48 -43.96 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.05 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -61.73 -53.3 57.91 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.944 0.402 . . . . 0.0 111.471 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -69.94 -35.86 74.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.039 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 59.8 tp -56.37 -49.15 75.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 584' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -26.08 60.64 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.705 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -73.87 -41.68 40.62 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.003 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 49.7 m -153.05 -78.83 0.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 C--O 1.246 0.904 0 CA-C-O 117.672 -1.156 . . . . 0.0 108.891 -179.607 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.636 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 22.6 ptt? . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -88.12 150.77 23.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.684 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.417 HG12 HG21 ' A' ' 17' ' ' VAL . 2.7 pt -152.53 178.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -131.28 135.71 47.55 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.0 t -118.09 106.06 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.628 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 24.7 mtpp -106.29 121.17 43.66 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.671 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 74.5 p -79.38 159.86 26.93 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.407 HD22 ' H ' ' A' ' 71' ' ' LEU . 2.4 pt? -59.36 -26.69 65.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.042 0.448 . . . . 0.0 110.556 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -14.97 63.04 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.583 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.05 32.57 6.39 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.065 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.628 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 84.6 tttt -108.1 149.22 28.76 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m -123.99 114.66 20.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.092 0.472 . . . . 0.0 111.688 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mp -112.52 126.62 69.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.111 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.63 143.6 30.88 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -152.13 164.05 38.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.933 0.397 . . . . 0.0 111.525 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.34 136.51 53.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.636 ' O ' ' HG2' ' A' ' 1' ' ' MET . 2.8 m -155.84 154.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 53.7 mm-40 -107.53 155.7 39.17 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.51 -26.85 56.47 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.152 1.901 . . . . 0.0 112.278 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.07 6.11 47.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.975 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -76.69 146.56 38.0 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.584 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.468 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -84.61 152.67 23.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.462 -179.644 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.3 mm -62.1 -41.35 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.17 0.51 . . . . 0.0 110.051 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -65.53 -37.99 88.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.979 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' HB2' ' OG1' ' A' ' 22' ' ' THR . 17.9 t30 -60.04 -38.24 82.15 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.911 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 22' ' ' THR . 49.7 t -66.25 -44.4 91.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -53.9 -38.1 64.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.936 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.28 -41.35 94.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.025 0.44 . . . . 0.0 109.901 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -60.79 -44.66 96.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.731 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.91 -37.48 78.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.019 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.417 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.2 tt0 -64.82 -34.76 79.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.194 0.521 . . . . 0.0 109.79 177.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -69.88 -46.88 64.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.294 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -72.23 -58.99 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.954 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -86.68 -52.28 5.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 111.66 19.65 7.29 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.152 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.2 mt -93.49 130.61 34.79 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.71 132.87 42.18 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.44 2.093 . . . . 0.0 111.76 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -51.11 -24.57 14.92 Favored 'Trans proline' 0 N--CA 1.476 0.465 0 C-N-CA 123.609 2.872 . . . . 0.0 114.079 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.36 -24.04 61.22 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.406 0.622 . . . . 0.0 110.713 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -98.74 -1.32 40.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.121 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -94.46 128.15 40.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.724 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -123.01 125.07 44.54 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.5 mt -107.1 113.98 27.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.117 0.484 . . . . 0.0 110.891 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.35 130.25 68.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.821 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -131.92 119.84 21.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.694 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' B' ' 560' ' ' LEU . . . 63.41 14.51 7.99 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.646 0.591 . . . . 0.0 111.765 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.95 -6.9 48.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.616 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -104.94 133.36 49.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.565 0.221 . . . . 0.0 110.465 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -81.19 127.88 33.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -80.19 121.72 25.95 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.107 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.75 144.25 55.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.609 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.38 -40.93 83.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.63 45.92 3.51 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.813 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 65.5 mmt-85 -139.81 170.56 15.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.6 p -120.5 170.31 9.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.141 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.7 mt -72.32 -5.93 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.219 0.533 . . . . 0.0 110.782 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -19.04 26.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.668 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -70.68 -50.58 35.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.898 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -90.63 3.54 53.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.4 t30 57.49 83.7 0.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.367 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.8 mm -95.96 125.52 48.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.221 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -89.87 -177.94 5.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.012 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 tmmt? -80.76 142.49 33.73 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 61.57 36.17 16.98 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.418 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.6 m -79.66 153.78 29.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.321 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -96.7 90.05 5.16 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.141 0.496 . . . . 0.0 111.323 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -84.0 130.57 34.88 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.578 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 58.3 m80 -104.72 116.4 31.96 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 7' ' ' THR . 19.4 tp -94.31 112.11 23.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.8 t -100.14 142.72 14.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.133 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.407 ' H ' HD22 ' A' ' 8' ' ' LEU . 8.8 mt -130.57 116.26 17.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.496 ' HD3' ' OE1' ' B' ' 581' ' ' GLU . 0.0 OUTLIER -84.15 114.95 22.15 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.4 mt -80.41 135.58 36.19 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.068 0.461 . . . . 0.0 110.991 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -89.47 -34.58 16.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.675 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.36 -143.08 13.99 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.19 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 119.037 -0.868 . . . . 0.0 111.418 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 17.0 m -141.43 82.66 14.13 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.917 0.389 . . . . 0.0 110.253 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -84.21 172.93 9.22 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.902 2.401 . . . . 0.0 112.1 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -93.21 124.87 37.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.919 0.39 . . . . 0.0 110.063 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -66.75 -12.95 60.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.289 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -72.68 -23.27 60.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.523 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.14 126.72 92.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.403 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 543' ' ' PRO . . . . . 0.405 ' O ' ' HG3' ' B' ' 546' ' ' ARG . 36.5 Cg_endo -65.47 -12.76 36.47 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.678 2.252 . . . . 0.0 112.795 -179.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.42 -27.44 31.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.874 0.369 . . . . 0.0 110.425 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 56.6 t -75.59 -49.73 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.002 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 546' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' B' ' 548' ' ' GLN . 8.5 mtm180 57.97 28.1 15.72 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.289 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 73.16 -20.62 0.28 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.557 0.743 . . . . 0.0 112.203 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . 0.44 ' H ' ' C ' ' B' ' 546' ' ' ARG . 26.0 mt-30 70.28 -48.68 0.64 Allowed 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 178.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -97.66 -41.86 7.92 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -176.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -68.94 -39.3 79.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.0 tp -68.06 -18.68 64.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.688 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -76.8 -20.37 56.49 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -94.91 -34.04 12.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.391 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 29.9 mt -72.9 -41.17 64.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.983 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 6.0 t -68.28 -24.91 64.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.305 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -76.1 -27.05 56.99 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.216 0.531 . . . . 0.0 109.743 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 20.7 mmt -82.13 -3.31 54.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.497 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 86.67 99.74 0.8 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.856 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -152.59 149.89 28.94 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 560' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 32.2 mt -113.56 -27.83 7.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.716 0.294 . . . . 0.0 111.653 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -89.57 98.75 11.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.294 0.569 . . . . 0.0 110.633 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -66.32 -43.91 84.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.027 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -63.19 -51.38 66.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.072 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -55.46 -36.25 66.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.217 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -62.2 -41.8 98.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.056 0.455 . . . . 0.0 110.584 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 56.0 tp -65.99 -36.85 84.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.384 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -73.14 -45.62 55.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.165 0.507 . . . . 0.0 110.04 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.04 -37.33 71.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.9 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.88 -36.14 72.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.778 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 33.5 mm -75.13 -43.77 44.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.27 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.11 70.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.884 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 16.3 p -89.78 -9.6 48.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.767 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 79.43 16.32 78.24 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.998 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 114.9 -9.85 21.12 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.311 -0.947 . . . . 0.0 113.162 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -75.1 98.5 3.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.001 0.429 . . . . 0.0 110.56 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 576' ' ' ILE . . . . . 0.413 ' O ' HG13 ' B' ' 580' ' ' ILE . 66.6 mt -56.98 -50.96 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.999 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -47.51 81.58 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -62.13 -34.58 76.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.392 . . . . 0.0 110.492 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -63.64 -51.95 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.597 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 576' ' ' ILE . 69.1 mt -52.95 -48.05 52.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.163 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 581' ' ' GLU . . . . . 0.496 ' OE1' ' HD3' ' A' ' 72' ' ' ARG . 25.5 mt-10 -59.5 -51.72 68.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.161 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -67.69 -38.62 83.94 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 14.0 tp -60.88 -42.29 97.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 584' ' ' LEU . . . . . . . . . . . . . 2.4 pp -97.08 -2.48 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.283 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -73.49 -75.79 0.72 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.445 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 73.2 m -140.2 -76.33 0.33 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.857 0.361 . . . . 0.0 110.386 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.247 0.927 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.421 179.921 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 120.839 0.352 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -101.53 154.74 18.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.001 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.6 pt -148.2 175.11 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.828 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -125.73 139.36 53.6 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 12' ' ' THR . 76.7 t -127.79 127.68 68.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.822 0.344 . . . . 0.0 110.574 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.706 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 24.6 mtpp -125.29 129.92 50.97 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -80.51 178.02 8.6 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.974 0.416 . . . . 0.0 111.662 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.444 ' HG ' ' ND2' ' B' ' 577' ' ' ASN . 35.9 tp -61.67 -28.34 69.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.651 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.89 -44.68 22.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.719 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.4 9.28 1.63 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.609 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.706 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 77.8 tttt -68.59 149.85 48.7 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 1.4 m -120.74 122.99 41.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.859 0.362 . . . . 0.0 111.081 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.2 mt -122.79 125.15 71.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -85.99 128.52 34.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.075 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.1 157.28 46.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.153 0.501 . . . . 0.0 111.733 -179.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -112.43 136.3 52.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.037 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 m -148.79 -179.46 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.493 ' O ' HD12 ' A' ' 56' ' ' LEU . 15.8 mm-40 -123.21 157.24 61.71 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -58.1 -36.21 98.12 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.384 2.056 . . . . 0.0 112.084 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -95.56 16.7 16.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.415 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -77.52 134.42 38.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.052 0.453 . . . . 0.0 110.34 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.21 146.78 38.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.348 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.8 mm -54.81 -42.05 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.695 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -57.06 -42.03 79.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.655 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -59.17 -42.6 91.18 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.222 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 30' ' ' ILE . 18.5 t -63.05 -48.65 86.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.762 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -55.27 -39.21 69.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.231 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.04 94.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.172 0.511 . . . . 0.0 109.829 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.74 -46.71 88.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.625 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 26' ' ' VAL . 72.0 mt -59.08 -40.12 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.333 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.27 -34.05 77.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.122 0.487 . . . . 0.0 110.545 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -68.0 -45.98 72.58 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.294 0.568 . . . . 0.0 110.201 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -71.66 -60.51 2.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.463 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -80.88 -55.64 4.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.28 3.01 15.32 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.967 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 mt -75.69 124.05 88.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -56.65 137.86 82.65 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.478 2.118 . . . . 0.0 111.683 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.4 -27.09 56.63 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.994 2.463 . . . . 0.0 112.953 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -72.22 -16.1 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.232 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -109.04 1.97 20.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.011 0.434 . . . . 0.0 110.613 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -95.85 119.27 34.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.0 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 63.1 mtt180 -118.04 127.86 54.21 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.4 mt -106.06 112.15 25.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.378 0.608 . . . . 0.0 111.572 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -107.38 131.44 57.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -138.72 121.93 16.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.534 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.26 30.71 19.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.741 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.79 11.84 83.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.299 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -124.77 149.52 47.26 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -88.89 135.73 33.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.074 0.464 . . . . 0.0 111.024 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.2 mt -94.89 124.53 38.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.572 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.459 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 42.3 mt-10 -76.76 145.58 38.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.711 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -63.26 -31.86 73.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.818 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.29 22.21 10.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.907 -0.663 . . . . 0.0 113.579 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.459 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 32.0 mmt180 -122.38 164.04 18.7 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.0 p -109.86 170.18 8.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.25 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 18' ' ' GLU . 59.4 mt -70.69 -9.75 57.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.296 0.57 . . . . 0.0 110.182 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.5 -23.44 20.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.328 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.28 -43.54 94.49 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.354 0.597 . . . . 0.0 111.054 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -92.44 5.8 49.41 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.059 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.4 m120 55.23 41.68 31.17 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.329 0.585 . . . . 0.0 110.46 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.5 mt -69.19 130.27 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.847 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.46 169.48 13.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.982 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -72.79 163.79 27.57 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 58.29 33.84 23.51 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 123.578 0.549 . . . . 0.0 110.454 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.61 154.38 32.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.95 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -108.83 85.85 2.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.261 0.553 . . . . 0.0 110.621 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.55 127.99 34.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.91 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.615 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 45.8 m80 -105.56 117.28 33.61 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.225 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.46 ' HA ' ' O ' ' A' ' 42' ' ' ARG . 13.9 tp -88.78 101.71 14.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.613 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 74.0 t -86.19 139.06 17.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.242 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' B' ' 581' ' ' GLU . 25.1 mt -114.49 173.62 6.37 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -132.23 116.62 17.18 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.9 mt -72.85 113.12 9.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.335 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -91.93 -13.61 30.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.106 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.67 132.34 5.56 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.475 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.311 -1.272 . . . . 0.0 111.676 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 112.13 -0.388 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 12.1 m -142.7 91.15 7.5 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 122.637 -0.331 . . . . 0.0 110.578 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -87.36 171.72 6.28 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 122.833 2.355 . . . . 0.0 111.873 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 539' ' ' GLU . . . . . 0.433 ' HG3' ' HB2' ' B' ' 542' ' ' ASN . 3.3 pt-20 -83.5 128.19 34.32 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -70.52 -18.7 62.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -69.45 -22.54 63.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.837 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 542' ' ' ASN . . . . . 0.433 ' HB2' ' HG3' ' B' ' 539' ' ' GLU . 6.0 t-20 -66.22 123.25 84.81 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.011 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.36 -12.98 35.69 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.868 2.379 . . . . 0.0 112.63 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 544' ' ' GLU . . . . . 0.419 ' HG2' ' CG ' ' B' ' 542' ' ' ASN . 10.1 pt-20 -78.95 -14.42 59.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.173 0.511 . . . . 0.0 109.766 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 47.1 t -109.53 -55.28 5.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 546' ' ' ARG . . . . . 0.447 ' C ' ' H ' ' B' ' 548' ' ' GLN . 3.5 mtm180 59.36 44.12 15.65 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.049 -179.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 547' ' ' PHE . . . . . 0.465 ' C ' ' H ' ' B' ' 549' ' ' GLN . 2.6 m-85 74.21 -33.06 0.24 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.806 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' B' ' 546' ' ' ARG . 4.1 tt0 70.79 -33.59 0.27 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.824 0.85 . . . . 0.0 112.144 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 549' ' ' GLN . . . . . 0.465 ' H ' ' C ' ' B' ' 547' ' ' PHE . 13.4 mm100 -95.01 -49.23 5.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.002 0.43 . . . . 0.0 110.546 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.14 -34.66 76.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.254 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 14.4 tp -66.61 -16.03 63.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.134 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' B' ' 549' ' ' GLN . 45.9 tp10 -80.92 -26.0 37.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.774 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -93.05 -35.56 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.889 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 30.1 mt -64.82 -38.61 91.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.148 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 5.2 m -82.53 -11.15 58.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.565 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -76.94 -24.38 52.38 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.646 0.736 . . . . 0.0 109.199 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 20.2 mmt -92.24 7.34 43.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.498 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 82.23 88.84 0.67 Allowed Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.967 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -152.21 123.49 7.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.636 0.255 . . . . 0.0 110.515 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 92.2 mt -95.05 -12.23 26.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.772 0.32 . . . . 0.0 110.97 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 561' ' ' ASN . . . . . 0.422 ' HB3' ' OD1' ' B' ' 565' ' ' ASN . 5.3 t-20 -67.9 145.32 54.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.199 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -116.58 -65.8 1.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.609 0.225 . . . . 0.0 111.609 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -57.53 -59.41 5.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.867 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -51.06 -37.53 46.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.877 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . 0.422 ' OD1' ' HB3' ' B' ' 561' ' ' ASN . 5.1 m-20 -61.52 -39.11 89.84 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.039 0.447 . . . . 0.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 42.0 tp -68.04 -40.13 82.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.853 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -72.13 -40.04 68.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.201 0.524 . . . . 0.0 109.897 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -59.28 -37.01 76.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.363 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.28 -38.78 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.106 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 33.4 mm -67.03 -46.11 85.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.046 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -59.09 -33.95 71.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.483 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 572' ' ' THR . . . . . 0.416 HG22 ' N ' ' B' ' 579' ' ' ALA . 10.4 p -89.92 -27.03 20.12 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 83.46 20.42 60.28 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.7 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 122.95 -18.2 8.0 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.24 -0.981 . . . . 0.0 113.684 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -75.34 92.43 2.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.173 0.511 . . . . 0.0 110.461 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 42.9 mt -55.67 -47.98 78.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.109 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . 0.444 ' ND2' ' HG ' ' A' ' 8' ' ' LEU . 7.1 m120 -57.88 -46.39 84.95 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -63.1 -37.08 85.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.949 0.404 . . . . 0.0 110.54 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 579' ' ' ALA . . . . . 0.416 ' N ' HG22 ' B' ' 572' ' ' THR . . . -62.49 -55.4 27.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.786 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 91.7 mt -52.93 -44.3 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.224 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 581' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 44.8 mt-10 -60.41 -56.49 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.463 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 19.7 ttt85 -63.83 -37.04 85.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.978 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 17.6 tp -70.62 -15.76 62.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.717 -178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 584' ' ' LEU . . . . . . . . . . . . . 19.3 tp -73.76 -28.46 61.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.925 0.393 . . . . 0.0 110.748 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -109.07 -38.85 1.77 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.508 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 13.0 m -133.74 -158.04 0.85 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.736 0.303 . . . . 0.0 110.384 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.446 -0.787 . . . . 0.0 109.468 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.783 0.325 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -105.16 155.73 18.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.768 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.7 pt -147.27 169.66 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.088 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -121.77 135.93 54.93 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 58.9 t -124.24 124.06 67.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.642 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 93.1 mttt -117.38 122.62 44.34 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.454 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.87 -177.73 6.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.99 -29.15 67.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.625 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -84.89 3.45 38.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.25 31.22 57.59 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.191 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.642 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 73.9 tttt -78.11 156.89 29.7 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -117.01 94.84 4.74 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.839 0.352 . . . . 0.0 110.59 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.3 mt -101.24 118.86 48.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.254 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.95 132.18 36.11 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.067 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.19 163.94 31.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.103 0.478 . . . . 0.0 111.443 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -112.54 135.22 53.5 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.379 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.1 m -146.82 -177.25 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.235 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 14.8 mm-40 -133.63 159.34 72.87 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.97 -30.35 91.49 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.12 1.88 . . . . 0.0 111.113 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.03 26.86 4.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.965 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -91.06 137.47 32.34 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.301 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 26' ' ' VAL . 37.5 p -87.43 152.54 22.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.2 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.6 mm -59.06 -37.56 68.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.91 0.386 . . . . 0.0 110.129 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -61.3 -40.21 93.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.749 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -66.8 -39.71 87.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.578 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 22' ' ' THR . 40.0 t -62.61 -49.97 81.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -54.08 -35.88 62.54 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.961 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.51 92.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.139 0.495 . . . . 0.0 110.387 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -60.54 -49.75 76.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.308 178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.2 mt -60.68 -37.48 75.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.166 0.508 . . . . 0.0 110.143 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -61.38 -37.09 82.14 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.436 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.95 -46.7 50.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.471 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -65.87 -65.91 0.62 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.655 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -78.42 -52.42 8.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.722 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.45 -1.6 14.1 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.925 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.9 mt -69.45 127.51 92.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.55 132.66 36.39 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.474 2.116 . . . . 0.0 111.648 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -52.01 -32.27 47.67 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.089 2.526 . . . . 0.0 113.341 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -69.11 -14.38 62.97 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.198 0.523 . . . . 0.0 111.234 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -109.52 4.04 21.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.066 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -104.31 123.4 47.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.411 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.442 ' O ' HD13 ' A' ' 69' ' ' LEU . 77.4 mtt180 -122.24 135.49 54.76 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.2 mt -110.57 121.17 44.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.224 0.535 . . . . 0.0 112.398 -177.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.68 129.9 66.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.743 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -130.77 109.51 10.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.762 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.74 20.7 10.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.906 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.82 -4.66 49.99 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.816 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -99.61 138.29 36.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.526 0.203 . . . . 0.0 110.503 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -87.94 118.69 27.66 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.8 mt -80.52 119.71 23.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.128 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.45 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 14.4 mt-10 -77.1 149.94 35.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.433 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -47.27 82.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.9 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.4 45.03 2.99 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.261 -0.495 . . . . 0.0 113.571 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.45 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.6 mmt180 -132.51 164.76 25.88 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.2 p -113.67 159.53 19.58 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.264 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.3 mt -67.61 -10.39 51.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.22 0.533 . . . . 0.0 110.48 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -22.24 29.57 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.762 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -67.67 -50.66 56.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.979 0.419 . . . . 0.0 110.911 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -87.93 5.42 40.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.411 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 56.36 51.27 11.75 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.661 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.6 mm -79.3 103.15 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.023 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -82.4 -176.59 6.29 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.308 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -74.21 159.8 32.03 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.948 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 65.0 12.54 7.98 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.01 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.0 m -73.5 150.48 41.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.602 0.239 . . . . 0.0 110.736 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.3 m -105.85 102.11 11.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.187 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 6.1 mp -92.69 133.27 36.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.375 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 75.4 m80 -104.22 118.28 36.26 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.869 0.366 . . . . 0.0 111.01 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 42' ' ' ARG . 27.7 tp -91.29 117.52 29.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.2 t -99.19 131.83 45.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.331 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.1 mt -114.87 88.17 2.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.726 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.448 ' HD3' ' OE1' ' B' ' 581' ' ' GLU . 0.0 OUTLIER -80.62 116.51 20.69 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.9 mt -101.17 165.83 11.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -87.86 -19.08 27.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.684 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.35 -154.38 27.88 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.023 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.92 -0.934 . . . . 0.0 111.78 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 24.3 m -120.87 89.71 45.87 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-O 120.798 0.333 . . . . 0.0 110.24 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.65 168.38 12.7 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.628 2.219 . . . . 0.0 112.266 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -96.3 125.68 40.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -70.26 -11.36 60.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.29 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -74.52 -16.85 60.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.996 0.427 . . . . 0.0 110.206 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -76.19 124.84 88.35 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.016 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.86 -8.88 19.2 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.971 2.447 . . . . 0.0 113.376 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -85.26 -19.22 31.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.094 0.473 . . . . 0.0 110.345 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 59.1 t -92.46 -45.61 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.256 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 546' ' ' ARG . . . . . 0.42 ' C ' ' H ' ' B' ' 548' ' ' GLN . 1.5 mtt180 56.7 39.08 29.89 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.535 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 75.22 -17.24 0.51 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.577 0.751 . . . . 0.0 111.625 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . 0.42 ' H ' ' C ' ' B' ' 546' ' ' ARG . 13.0 tt0 68.22 -52.27 0.54 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -93.55 -40.58 10.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.274 -0.266 . . . . 0.0 111.694 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -69.55 -29.52 67.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.077 0.465 . . . . 0.0 110.748 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' B' ' 555' ' ' SER . 15.1 tp -62.52 -24.25 67.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.709 179.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -80.41 -15.32 57.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.696 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -95.13 -36.5 11.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.956 0.408 . . . . 0.0 110.087 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.25 -37.32 61.06 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 555' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' B' ' 551' ' ' LEU . 0.3 OUTLIER -71.12 -18.76 62.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.892 178.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.44 -23.69 63.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.129 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 557' ' ' MET . . . . . 0.424 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 23.9 mmt -95.77 -11.89 26.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.192 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 87.52 116.31 1.15 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.785 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -154.05 128.56 9.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 26.0 mt -71.78 -28.56 63.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.457 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -85.8 157.02 20.34 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.041 0.448 . . . . 0.0 110.727 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -122.21 -43.97 2.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.782 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -69.42 -42.99 74.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.571 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -56.2 -36.27 68.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.891 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -61.69 -41.88 98.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.332 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 46.0 tp -64.74 -36.16 83.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.873 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -75.09 -40.45 60.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.907 0.384 . . . . 0.0 110.445 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.82 69.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.044 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.66 -33.74 66.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.925 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 21.8 mm -76.32 -42.35 36.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.843 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -57.84 -40.77 80.85 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.215 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 11.5 p -80.37 -50.84 9.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.38 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 109.85 1.43 30.38 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.178 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 147.48 -24.39 1.53 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.55 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -74.21 92.12 2.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.011 0.434 . . . . 0.0 110.689 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 78.2 mt -61.56 -42.09 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.808 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.41 -45.21 94.43 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 122.148 -0.345 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -66.1 -33.68 76.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.064 0.459 . . . . 0.0 109.907 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -60.26 -56.15 24.97 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.772 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 41.9 mt -52.74 -40.21 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.342 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 581' ' ' GLU . . . . . 0.448 ' OE1' ' HD3' ' A' ' 72' ' ' ARG . 18.9 mt-10 -63.38 -49.49 73.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.379 0.609 . . . . 0.0 110.808 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 15.9 ttt85 -73.34 -36.98 66.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.307 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.08 -24.71 67.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.212 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 584' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.16 -22.03 65.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.927 0.394 . . . . 0.0 110.093 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -89.12 -61.81 1.39 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.919 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 586' ' ' SER . . . . . 0.408 ' C ' ' HG ' ' B' ' 587' ' ' SER . 37.5 m -149.04 -90.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.606 -0.349 . . . . 0.0 110.957 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 587' ' ' SER . . . . . 1.205 ' OG ' ' CB ' ' B' ' 587' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.238 0 CA-C-O 118.731 -0.652 . . . . 0.0 110.123 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptt? . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.854 0.359 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -110.09 158.39 18.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.997 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 pt -151.85 -175.43 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.92 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -132.11 137.19 47.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.31 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -128.61 130.02 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.097 0.475 . . . . 0.0 110.525 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -118.14 172.31 7.51 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 p -120.11 -145.1 0.36 Allowed 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.1 tp -75.97 -14.89 60.24 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 p -110.14 -172.0 1.95 Allowed 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.826 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.23 26.54 6.87 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.86 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -69.77 152.85 44.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.701 0.286 . . . . 0.0 110.888 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.0 m -130.02 118.67 21.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.891 0.376 . . . . 0.0 111.231 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mt -117.94 124.4 73.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.309 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.52 139.7 31.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.341 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mt -148.68 141.68 24.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.976 0.417 . . . . 0.0 111.505 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -91.94 134.17 35.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 m -151.31 -172.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -147.1 158.82 44.13 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.09 -38.64 90.78 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 121.88 1.72 . . . . 0.0 111.768 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.56 2.99 23.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.126 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -78.16 131.81 37.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -75.99 152.78 36.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -179.569 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 54' ' ' ARG . 38.5 mm -60.39 -38.89 79.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.525 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -60.59 -39.66 88.91 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 22' ' ' THR . 28.0 m-20 -58.39 -45.32 88.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.758 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.48 -46.61 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.624 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 88.5 mttt -52.69 -42.71 65.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.154 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.33 96.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.98 0.419 . . . . 0.0 109.994 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.25 -45.58 90.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.607 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.6 mt -60.22 -40.38 83.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.238 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.417 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.0 tt0 -63.76 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.565 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -69.42 -50.84 42.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.832 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -67.41 -58.16 5.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.056 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -83.58 -67.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.766 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 125.18 44.47 0.27 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.814 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.1 mt -119.17 124.72 28.03 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.33 131.73 42.55 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.618 2.212 . . . . 0.0 111.839 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -51.72 -24.73 18.62 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 123.527 2.818 . . . . 0.0 114.197 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -72.38 -21.33 61.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.251 0.548 . . . . 0.0 111.037 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -104.21 0.19 29.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.683 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -91.36 128.64 37.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.074 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.541 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 64.7 mtt180 -127.9 121.52 30.2 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 177.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.6 mt -103.64 106.61 17.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.296 0.569 . . . . 0.0 110.896 -177.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -102.79 124.79 57.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.012 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -125.71 110.79 14.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.203 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.66 25.19 14.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.056 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.19 2.97 63.75 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.878 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -115.94 132.56 56.61 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -82.67 126.32 32.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.774 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.83 117.82 21.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.739 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.473 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 37.7 mt-10 -71.51 141.82 50.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.674 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.422 ' CG ' ' HZ3' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -52.85 -39.42 62.55 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.047 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.6 12.58 39.87 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.776 -0.726 . . . . 0.0 114.739 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.473 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.9 mmt180 -108.21 168.59 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.666 0.733 . . . . 0.0 110.453 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.8 p -110.54 171.47 7.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.31 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.1 mt -76.01 0.14 19.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 111.61 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 p -107.12 -12.91 15.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.458 0.646 . . . . 0.0 109.816 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -69.45 -41.58 76.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.197 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.423 ' O ' ' HB3' ' A' ' 60' ' ' ASN . 94.5 m-85 -90.46 19.84 4.98 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.444 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.423 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 29.3 t30 69.77 106.75 0.06 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.165 0.507 . . . . 0.0 110.964 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.6 tp -62.2 134.39 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.417 0.627 . . . . 0.0 111.36 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -130.24 136.01 48.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.561 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 141.7 57.27 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 57.4 54.76 6.3 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.21 124.58 23.85 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.336 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 m -110.11 94.29 4.94 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 121.562 0.696 . . . . 0.0 110.588 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -81.38 130.14 34.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.024 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -107.67 114.77 28.98 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.892 0.377 . . . . 0.0 110.897 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.541 ' HA ' ' O ' ' A' ' 42' ' ' ARG . 14.0 tp -88.6 93.96 9.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.936 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 t -78.99 139.64 18.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.004 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.7 mt -123.77 118.41 27.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.957 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.507 ' HA ' ' OE1' ' B' ' 581' ' ' GLU . 21.9 ttt180 -93.61 125.14 38.06 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.7 mt -82.09 155.26 25.16 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.331 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -101.67 -34.44 9.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.628 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.18 -176.86 15.2 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.677 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.836 -0.98 . . . . 0.0 111.915 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 4.6 m -125.36 83.68 60.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -90.27 171.8 3.67 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.827 2.352 . . . . 0.0 112.906 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -103.07 137.53 41.13 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -77.94 -2.89 39.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.731 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -75.23 -26.38 58.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.949 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -70.25 132.19 88.16 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.838 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 543' ' ' PRO . . . . . 0.462 ' O ' ' HG3' ' B' ' 546' ' ' ARG . 37.2 Cg_endo -65.72 -16.59 53.92 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.985 2.456 . . . . 0.0 112.599 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.49 -28.43 46.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.137 0.494 . . . . 0.0 109.964 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.09 -48.06 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.232 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 546' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' B' ' 543' ' ' PRO . 50.0 mtm180 58.48 33.09 22.82 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.824 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 71.74 -7.34 1.27 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.324 0.65 . . . . 0.0 112.168 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 67.97 -67.26 0.19 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -94.55 -34.2 12.75 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -175.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -66.1 -31.06 71.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.175 0.512 . . . . 0.0 110.548 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 12.1 tp -65.89 -20.42 66.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.637 178.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -79.34 -18.93 51.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.334 0.588 . . . . 0.0 109.938 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -90.02 -35.3 15.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.669 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 4.1 mt -72.57 -40.77 66.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.507 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 15.7 m -70.91 -21.08 62.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.783 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -78.47 -14.05 59.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.257 0.551 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 17.8 mmt -106.46 5.61 29.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.562 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 77.35 99.3 0.18 Allowed Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.826 -0.624 . . . . 0.0 113.048 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 559' ' ' PHE . . . . . 0.451 ' HB3' HD22 ' B' ' 565' ' ' ASN . 5.7 m-85 -149.03 110.25 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 31.1 mt -71.92 -23.01 61.4 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -82.5 164.47 20.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -128.36 -50.86 1.29 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.683 0.278 . . . . 0.0 111.169 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -66.88 -48.6 68.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.719 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -54.24 -35.17 62.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.107 0.48 . . . . 0.0 110.798 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . 0.451 HD22 ' HB3' ' B' ' 559' ' ' PHE . 2.5 m-20 -64.05 -40.55 96.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.454 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . 0.423 ' O ' HG12 ' B' ' 570' ' ' ILE . 33.6 tp -67.01 -37.96 85.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.939 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -69.83 -45.12 68.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.185 0.517 . . . . 0.0 109.673 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.25 -33.12 67.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.658 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.91 -39.67 55.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.886 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . 0.423 HG12 ' O ' ' B' ' 566' ' ' LEU . 37.3 mm -67.52 -48.25 77.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.856 0.36 . . . . 0.0 110.319 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -55.84 -40.57 73.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.919 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 19.1 p -78.4 -45.1 23.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.058 0.456 . . . . 0.0 110.435 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 102.66 6.04 47.35 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.134 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 140.62 -24.72 2.61 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.555 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -71.14 89.09 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 576' ' ' ILE . . . . . 0.428 ' O ' HG13 ' B' ' 580' ' ' ILE . 53.2 mt -60.27 -43.34 93.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.363 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.57 -46.29 84.14 Favored 'General case' 0 C--O 1.231 0.126 0 O-C-N 122.446 -0.159 . . . . 0.0 111.225 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . 0.484 ' HA ' ' OE2' ' B' ' 581' ' ' GLU . . . -62.64 -32.66 73.73 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.111 0.482 . . . . 0.0 110.307 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -66.43 -52.12 49.71 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.768 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . 0.428 HG13 ' O ' ' B' ' 576' ' ' ILE . 76.3 mt -52.32 -44.56 42.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.828 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 581' ' ' GLU . . . . . 0.507 ' OE1' ' HA ' ' A' ' 72' ' ' ARG . 38.4 mt-10 -57.08 -55.24 37.28 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.382 0.61 . . . . 0.0 110.579 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -68.97 -45.69 70.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.119 -0.946 . . . . 0.0 113.028 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 23.7 tp -56.31 -38.49 71.34 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 584' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.68 -24.58 63.62 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.065 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -93.16 -61.35 1.14 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.444 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 66.5 m -152.51 140.08 19.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.783 0.325 . . . . 0.0 110.372 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.486 -0.768 . . . . 0.0 110.695 -179.634 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.83 0.348 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -99.56 154.98 17.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.493 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.6 pt -149.46 169.79 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -130.53 138.51 50.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.568 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.422 ' HB ' ' HB ' ' A' ' 13' ' ' ILE . 95.6 t -121.29 117.42 52.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.973 0.416 . . . . 0.0 110.436 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 22.2 mmtp -107.21 119.48 39.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.547 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.5 p -86.25 -175.4 5.49 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.649 0.262 . . . . 0.0 111.094 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.6 -29.91 70.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.08 0.467 . . . . 0.0 110.789 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -0.43 49.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.106 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.36 20.82 68.51 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.471 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.63 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 8.4 tttt -73.69 151.76 40.64 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.66 99.63 7.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.938 0.399 . . . . 0.0 111.215 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.422 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 12.6 mt -98.46 112.56 30.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.691 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -82.68 128.92 34.81 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.029 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.8 mt -137.57 167.71 21.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.076 0.465 . . . . 0.0 111.269 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' O ' HG12 ' A' ' 17' ' ' VAL . 21.4 tt0 -122.73 138.4 54.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.03 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -161.92 -173.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -178.441 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -143.26 154.26 60.64 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.66 -26.53 38.11 Favored 'Trans proline' 0 N--CA 1.476 0.463 0 C-N-CA 123.038 2.492 . . . . 0.0 113.82 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -85.29 -6.36 59.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.83 150.44 36.1 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.876 0.369 . . . . 0.0 110.85 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 4.2 p -89.75 158.95 17.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.247 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.561 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 47.1 mm -62.04 -38.62 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -59.7 -42.49 93.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.995 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -58.16 -35.19 71.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.071 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 30' ' ' ILE . 34.7 t -70.63 -45.39 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.467 178.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 7.9 mmmm -48.91 -46.73 43.32 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.13 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.5 99.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.079 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -58.35 -49.46 77.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.562 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 26' ' ' VAL . 15.1 mt -61.37 -36.09 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.353 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.465 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 58.9 tt0 -63.89 -37.99 89.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.131 0.491 . . . . 0.0 110.327 178.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.95 -45.82 69.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.266 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -68.01 -64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.349 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -80.68 -55.67 4.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.855 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 113.07 40.68 1.04 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.106 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.0 mt -116.62 123.54 30.38 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.46 137.59 72.7 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.553 2.169 . . . . 0.0 111.915 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.88 -24.71 32.43 Favored 'Trans proline' 0 N--CA 1.474 0.332 0 C-N-CA 123.176 2.584 . . . . 0.0 113.282 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -18.22 61.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.725 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -105.8 1.77 27.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.048 0.451 . . . . 0.0 110.737 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.472 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 39.7 mt-30 -105.56 136.57 44.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.197 -178.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -132.84 135.71 45.8 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -110.71 123.52 50.19 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.61 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -116.36 128.73 73.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.011 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -126.5 104.08 7.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.181 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.31 33.3 16.6 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.311 0.577 . . . . 0.0 110.729 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.07 -16.16 59.29 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.451 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -88.68 117.84 27.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.651 0.262 . . . . 0.0 110.389 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -72.77 127.56 32.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.221 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.8 mt -87.57 116.71 25.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.09 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -78.11 145.41 35.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.352 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.21 -32.44 68.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.973 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.35 35.24 3.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.713 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -132.99 162.16 32.43 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 80.4 p -111.3 172.98 6.56 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.31 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.0 mt -73.92 -3.63 30.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.948 0.404 . . . . 0.0 110.526 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.9 m -97.05 -17.14 20.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.192 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.08 -58.02 5.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.988 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -85.53 3.88 38.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.434 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 t30 59.67 74.57 0.44 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.861 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.4 mp -95.15 124.64 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.039 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -86.55 176.63 7.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.871 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.38 142.11 39.46 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.198 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.54 40.99 13.01 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.796 0.808 . . . . 0.0 110.391 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.18 155.57 26.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.11 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 m -103.62 89.96 3.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.311 0.577 . . . . 0.0 110.55 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.11 133.8 35.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.841 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.567 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 9.5 m80 -102.97 114.14 28.18 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.769 0.318 . . . . 0.0 111.246 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.5 tp -90.77 125.25 35.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.038 0.446 . . . . 0.0 110.114 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.03 134.93 48.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.224 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.7 mt -115.81 130.83 57.0 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.11 113.29 25.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.831 0.348 . . . . 0.0 110.717 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.6 mt -67.95 116.21 8.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.51 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -87.21 -18.25 30.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.603 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -124.59 143.79 14.88 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.701 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.572 -1.127 . . . . 0.0 111.371 -179.906 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.996 -0.441 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.88 92.06 45.52 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-O 120.865 0.364 . . . . 0.0 110.523 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -90.61 -161.83 0.11 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.958 2.439 . . . . 0.0 111.778 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -125.0 146.63 49.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.839 0.352 . . . . 0.0 110.103 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -83.99 -14.3 51.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.041 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -69.17 -27.28 65.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.727 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -74.99 121.78 86.03 Favored Pre-proline 0 C--O 1.236 0.393 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.965 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.35 -0.92 6.41 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.969 2.446 . . . . 0.0 113.452 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -82.82 -21.28 34.53 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 6.7 t -101.9 -50.48 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.931 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 546' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' B' ' 547' ' ' PHE . 5.2 mtm180 57.18 49.73 12.99 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.964 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 547' ' ' PHE . . . . . 0.5 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 14.5 m-85 74.93 -37.87 0.36 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.158 0.583 . . . . 0.0 111.872 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . 0.411 ' H ' ' C ' ' B' ' 546' ' ' ARG . 20.2 tt0 73.58 -40.63 0.47 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.767 0.827 . . . . 0.0 112.455 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -96.26 -46.97 6.22 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.877 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -65.85 -32.21 73.6 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 14.4 tp -66.54 -19.11 65.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.864 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . 0.501 ' O ' ' HB3' ' B' ' 556' ' ' ALA . 6.6 tp10 -80.89 -15.01 57.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.184 0.516 . . . . 0.0 110.006 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.42 -35.6 9.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.382 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 52.7 mt -67.82 -43.4 79.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.076 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 5.1 m -76.96 -16.88 59.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.549 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' B' ' 552' ' ' GLU . . . -78.74 -24.27 44.93 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.412 0.625 . . . . 0.0 109.97 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 10.3 mmt -85.42 12.08 9.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.89 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 77.59 78.08 0.79 Allowed Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.805 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -147.43 138.72 23.78 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 36.9 mt -106.73 -15.66 14.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.21 152.05 42.49 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.441 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -114.95 -59.1 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.095 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -65.0 -49.23 71.07 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.591 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.18 81.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.348 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -63.87 -37.5 87.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.081 0.467 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.42 -39.8 95.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.426 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -76.86 -37.69 55.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.926 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.95 75.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.994 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -32.97 71.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.146 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 35.6 mm -73.44 -45.28 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.456 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -55.69 -42.11 74.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.149 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 68.9 p -81.69 -30.17 32.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.802 0.334 . . . . 0.0 111.219 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 97.78 10.93 51.88 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.319 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 128.29 -16.15 6.03 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.72 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -72.61 100.52 2.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.92 0.39 . . . . 0.0 110.496 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.97 -48.67 88.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.093 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.74 -48.4 75.29 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -63.26 -34.24 77.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -62.15 -51.07 69.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.769 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 84.3 mt -54.24 -45.6 67.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.442 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -66.85 -34.63 78.22 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 121.137 0.494 . . . . 0.0 110.624 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -72.89 -40.07 65.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.241 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 15.6 tp -56.77 -53.39 58.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.596 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 584' ' ' LEU . . . . . . . . . . . . . 1.3 pp -93.0 21.06 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.223 0.535 . . . . 0.0 110.806 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -109.22 -65.96 0.57 Allowed Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.813 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 28.9 m -158.55 140.26 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.584 179.833 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -104.56 155.89 18.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.725 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 pt -147.25 174.88 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -121.82 135.41 54.91 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.3 t -123.44 112.72 34.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 4.1 tttp -112.2 127.85 56.07 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.461 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 p -83.93 174.1 10.64 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.051 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.1 mt -66.53 -21.82 66.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.182 0.515 . . . . 0.0 110.196 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.35 -19.88 57.76 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.791 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.18 11.23 39.95 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.935 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 86.6 tttt -76.22 147.32 38.46 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.9 m -117.25 109.02 16.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.162 0.506 . . . . 0.0 110.89 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 mt -105.01 122.89 58.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.618 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.441 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -87.22 123.91 32.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.965 178.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mt -133.25 153.77 51.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.94 0.4 . . . . 0.0 111.441 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -108.93 137.1 47.39 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 m -148.08 -170.54 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.441 ' O ' HD11 ' A' ' 56' ' ' LEU . 5.3 mm-40 -147.18 158.53 44.33 Favored Pre-proline 0 C--N 1.32 -0.713 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.28 -37.65 81.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.213 1.942 . . . . 0.0 112.558 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.84 6.46 24.58 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -75.46 139.87 42.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.925 0.393 . . . . 0.0 110.233 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.83 147.53 28.29 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.763 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.6 mm -56.98 -46.18 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.078 0.466 . . . . 0.0 110.51 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -64.31 -33.13 75.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.456 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -63.84 -38.5 91.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.025 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.55 -44.22 96.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -54.8 -38.22 67.06 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.282 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.73 98.41 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.306 0.574 . . . . 0.0 109.67 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -61.11 -44.84 96.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.218 178.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.4 mt -61.24 -40.57 86.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.228 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -61.41 -33.17 73.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.307 0.575 . . . . 0.0 110.222 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.95 -45.83 55.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.403 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HE3' ' O ' ' A' ' 14' ' ' THR . 54.6 mttm -68.71 -56.47 8.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.295 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -88.49 -61.63 1.67 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.74 -12.06 5.14 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.454 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 mt -70.01 125.42 91.98 Favored Pre-proline 0 C--N 1.323 -0.58 0 O-C-N 122.939 -0.153 . . . . 0.0 110.723 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.71 143.21 91.84 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.686 2.257 . . . . 0.0 112.076 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.02 -24.31 31.94 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.248 2.632 . . . . 0.0 113.856 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.52 -21.55 59.49 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.171 0.51 . . . . 0.0 110.955 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -100.0 1.79 42.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.783 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -101.48 143.43 31.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.29 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -134.23 131.27 38.31 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 176.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.5 mt -108.43 118.7 37.47 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.249 0.547 . . . . 0.0 112.103 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.54 126.93 68.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.862 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -135.98 128.89 31.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.882 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.18 20.47 11.73 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.538 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' B' ' 558' ' ' GLY . . . 93.89 -0.82 67.46 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.751 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -120.9 152.18 38.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.114 0.457 . . . . 0.0 111.359 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -82.32 141.84 32.54 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.396 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.9 mt -98.25 146.8 25.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -90.57 141.24 28.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.151 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.4 -41.32 98.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.028 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.79 47.78 3.87 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.703 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.1 mmt-85 -141.57 163.45 32.9 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.5 p -108.82 163.95 12.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.726 0.298 . . . . 0.0 110.564 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.441 HD11 ' O ' ' A' ' 18' ' ' GLU . 85.4 mt -68.81 -14.83 63.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.214 0.53 . . . . 0.0 109.966 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -24.27 39.1 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.868 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -68.96 -47.13 66.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.813 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -88.72 3.21 51.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 57.95 62.01 2.2 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.072 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.4 mm -79.57 122.93 35.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -96.81 174.16 6.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.985 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -63.32 132.42 51.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.026 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 63.29 41.61 7.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.134 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.8 m -78.24 146.91 34.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -93.94 101.32 13.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.793 0.33 . . . . 0.0 111.572 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -96.76 131.72 43.18 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.533 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 33.9 m80 -102.95 117.48 34.7 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.215 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.2 tp -89.16 118.04 28.58 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.093 0.473 . . . . 0.0 109.938 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.8 t -102.06 136.22 35.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.273 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.2 mt -123.16 114.87 20.88 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.545 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -92.03 129.68 37.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.191 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.2 mt -97.37 134.25 40.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.46 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -86.67 -23.03 25.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.387 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.28 178.41 25.44 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.818 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.793 -1.004 . . . . 0.0 111.544 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.914 -0.474 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.73 91.78 13.11 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -92.47 161.43 2.97 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 122.921 2.414 . . . . 0.0 112.923 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -84.62 118.47 24.39 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -62.48 -23.53 66.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.324 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -64.64 -23.84 67.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.879 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.65 126.24 90.41 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.3 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.96 -16.04 51.6 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.828 2.352 . . . . 0.0 112.413 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.99 -30.35 44.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.152 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 63.8 t -79.55 -49.25 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.335 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 546' ' ' ARG . . . . . 0.536 ' O ' ' HB2' ' B' ' 551' ' ' LEU . 43.5 mtm180 60.48 36.51 20.1 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.469 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 75.24 -21.62 0.29 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.527 0.731 . . . . 0.0 110.972 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 548' ' ' GLN . . . . . 0.455 ' H ' ' C ' ' B' ' 546' ' ' ARG . 7.9 tt0 71.25 -56.18 0.64 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.913 0.885 . . . . 0.0 113.119 178.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -86.22 -56.52 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 550' ' ' GLN . . . . . 0.468 ' OE1' ' HA ' ' B' ' 550' ' ' GLN . 11.1 mm-40 -60.7 -22.83 64.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.786 0.327 . . . . 0.0 111.819 -178.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 34.2 tp -63.61 -24.63 67.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.592 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . 0.507 ' O ' ' HB1' ' B' ' 556' ' ' ALA . 4.0 tp10 -80.32 -12.03 59.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.015 0.436 . . . . 0.0 110.374 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -98.59 -41.25 7.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.933 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 9.6 mt -66.27 -43.12 87.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.821 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 1.7 m -78.12 -17.89 56.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.641 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . 0.507 ' HB1' ' O ' ' B' ' 552' ' ' GLU . . . -74.69 -17.37 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 111.489 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 10.1 mmt -92.22 11.04 27.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . 0.414 ' O ' ' HA2' ' A' ' 47' ' ' GLY . . . 74.4 84.84 0.3 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.557 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -144.04 156.34 44.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.603 0.239 . . . . 0.0 110.543 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 14.1 mt -110.5 -19.3 12.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.247 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 561' ' ' ASN . . . . . 0.415 ' HB3' ' OD1' ' B' ' 565' ' ' ASN . 6.7 t-20 -74.5 146.42 42.74 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.695 -178.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -121.5 -58.72 1.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.652 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -62.38 -53.7 51.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.474 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -56.19 -35.13 66.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.079 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 565' ' ' ASN . . . . . 0.415 ' OD1' ' HB3' ' B' ' 561' ' ' ASN . 5.4 m-20 -64.36 -43.79 93.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.019 0.438 . . . . 0.0 110.296 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 30.9 tp -64.7 -37.06 86.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.209 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -71.41 -42.67 68.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.842 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -56.26 -35.42 67.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.145 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.47 -35.37 68.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.435 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 29.5 mm -73.57 -42.45 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -60.74 -30.63 70.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.523 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 6.5 p -89.62 -40.62 12.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.096 0.474 . . . . 0.0 110.831 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 99.48 7.77 53.54 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.389 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 136.17 -16.42 3.91 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.405 -0.902 . . . . 0.0 113.089 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -76.67 92.69 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.803 0.335 . . . . 0.0 110.623 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 25.1 mt -58.31 -49.52 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.833 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -58.47 -46.3 86.89 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -66.79 -31.66 72.44 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.719 0.295 . . . . 0.0 110.72 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -64.29 -55.24 22.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.748 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 77.8 mt -53.71 -42.21 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.185 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.52 -53.69 54.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.28 0.562 . . . . 0.0 110.064 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 582' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 582' ' ' ARG . 20.6 ttt180 -68.64 -35.18 76.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.091 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 30.4 tp -51.04 -41.54 59.91 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 584' ' ' LEU . . . . . 0.438 ' H ' ' HG ' ' B' ' 584' ' ' LEU . 0.8 OUTLIER -98.8 19.82 14.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.044 0.449 . . . . 0.0 111.07 -179.839 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -122.1 -59.0 0.21 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.408 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 13.9 m -153.63 159.62 42.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.865 0.364 . . . . 0.0 110.894 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 10.2 m . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.687 179.102 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.7 ptt? . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.925 0.393 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -91.6 151.82 20.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.312 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.6 pt -149.19 166.52 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.276 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -123.32 133.67 54.12 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 64.1 t -126.17 104.87 13.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.956 0.407 . . . . 0.0 110.12 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.641 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 13.0 tttp -101.66 121.14 41.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.957 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 71.7 p -74.98 168.76 19.33 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.696 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.451 HD22 HG13 ' A' ' 70' ' ' VAL . 15.3 tp -64.43 -24.61 67.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.099 0.476 . . . . 0.0 110.543 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 m -76.32 -22.09 55.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.254 0.55 . . . . 0.0 110.43 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.24 14.89 13.53 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.726 -0.75 . . . . 0.0 113.127 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.641 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 59.3 tttm -82.72 140.63 32.97 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -111.92 102.39 10.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.865 0.364 . . . . 0.0 110.589 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -98.21 121.58 48.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.079 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 m -92.84 125.55 37.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mp -139.06 175.06 9.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.037 0.446 . . . . 0.0 111.219 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -121.75 138.45 54.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.168 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.543 ' O ' ' HG2' ' A' ' 1' ' ' MET . 17.3 m -149.61 164.33 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 13.0 mm-40 -114.39 152.86 46.46 Favored Pre-proline 0 C--N 1.316 -0.891 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -58.43 -12.46 13.78 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.488 2.125 . . . . 0.0 112.64 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 m -104.55 12.5 33.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.343 . . . . 0.0 111.023 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.2 m-20 -78.75 158.51 28.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.01 0.433 . . . . 0.0 110.673 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.464 HG22 HG22 ' A' ' 55' ' ' THR . 7.2 p -108.38 162.62 13.94 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.77 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.6 mm -58.62 -42.92 86.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.061 0.458 . . . . 0.0 110.51 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.22 -40.73 96.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.916 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.451 ' HB2' ' OG1' ' A' ' 22' ' ' THR . 4.9 t30 -59.78 -40.06 86.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.1 t -66.93 -44.51 88.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -53.03 -39.8 63.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.621 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.72 93.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.864 0.364 . . . . 0.0 110.439 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 63.0 mttt -58.94 -48.12 82.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.093 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.6 mt -61.55 -40.68 87.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.589 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.56 -38.67 88.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.64 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.91 -45.82 80.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.233 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -66.57 -56.2 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.577 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -84.07 -77.7 0.25 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.796 0.332 . . . . 0.0 111.858 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.23 -12.37 1.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.795 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 mt -67.79 124.58 89.75 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.247 . . . . 0.0 110.616 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.06 139.75 92.12 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.851 2.367 . . . . 0.0 112.185 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -51.78 -26.62 24.33 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.314 2.676 . . . . 0.0 113.786 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -69.87 -23.95 63.34 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.121 0.486 . . . . 0.0 110.731 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -98.61 -0.93 42.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.233 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -93.99 142.5 27.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.072 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HD3' HD11 ' B' ' 584' ' ' LEU . 70.8 mtt180 -138.48 127.81 24.45 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.56 113.8 27.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.32 0.581 . . . . 0.0 111.418 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.484 HD11 HD13 ' B' ' 584' ' ' LEU . 3.5 mp -114.74 131.17 67.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.652 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -126.04 107.94 10.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.906 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.36 29.6 19.14 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.455 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.27 -19.83 52.32 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.267 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -82.03 125.22 30.56 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -77.39 123.36 26.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.579 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.4 mt -88.38 107.81 19.03 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.99 141.93 56.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.815 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -37.65 71.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.926 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.71 41.86 3.07 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.45 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.0 mmt-85 -133.89 167.29 20.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.041 0.448 . . . . 0.0 110.403 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.464 HG22 HG22 ' A' ' 22' ' ' THR . 81.7 p -112.26 171.95 7.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.344 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.6 mt -75.32 -11.82 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.178 0.514 . . . . 0.0 110.239 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -17.05 32.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.799 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.41 -52.44 39.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -93.44 7.32 45.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 57.41 64.64 1.54 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.1 mm -87.03 124.69 40.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.94 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -101.58 -177.85 3.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.898 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -79.83 156.3 27.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.939 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 63.48 26.62 14.89 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.439 0.462 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -85.33 154.53 21.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.5 m -106.99 105.69 15.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.136 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 3.7 mp -98.76 139.06 35.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.155 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.562 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 38.4 m80 -105.47 115.83 30.92 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.747 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 7' ' ' THR . 13.1 tp -98.42 109.66 22.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.996 0.427 . . . . 0.0 110.32 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.451 HG13 HD22 ' A' ' 8' ' ' LEU . 42.6 t -87.59 137.6 20.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.9 mt -107.35 102.3 11.6 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.87 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -83.65 101.01 11.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.126 0.489 . . . . 0.0 110.021 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.4 mt -76.57 129.68 36.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.542 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -83.02 -18.15 40.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.491 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.85 -163.96 38.48 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.011 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.973 0 CA-C-O 118.884 -0.953 . . . . 0.0 111.425 -179.874 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.619 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 1.7 m -122.04 82.93 44.1 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.757 0.313 . . . . 0.0 110.641 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -89.61 168.33 4.91 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 539' ' ' GLU . . . . . 0.489 ' HG3' ' HB2' ' B' ' 542' ' ' ASN . 3.1 pt-20 -92.53 127.89 38.19 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.012 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -72.48 -23.2 61.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.304 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -66.76 -29.01 68.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.12 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 542' ' ' ASN . . . . . 0.489 ' HB2' ' HG3' ' B' ' 539' ' ' GLU . 8.2 t-20 -63.32 123.72 81.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.708 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -61.46 -14.89 37.61 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.0 2.467 . . . . 0.0 113.036 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 544' ' ' GLU . . . . . 0.442 ' HG2' ' CG ' ' B' ' 542' ' ' ASN . 9.8 pt-20 -73.7 -31.51 63.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.986 0.422 . . . . 0.0 109.996 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.406 HG23 ' HG3' ' B' ' 544' ' ' GLU . 46.0 t -87.97 -51.65 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.335 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 546' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' B' ' 547' ' ' PHE . 35.4 mtm180 58.72 37.25 25.14 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.709 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 547' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 2.6 m-85 74.99 -24.23 0.22 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.526 0.73 . . . . 0.0 111.815 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 548' ' ' GLN . . . . . 0.42 ' H ' ' C ' ' B' ' 546' ' ' ARG . 14.6 mt-30 68.45 -51.24 0.56 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.99 0.916 . . . . 0.0 113.171 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -89.55 -43.64 10.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.988 -0.445 . . . . 0.0 110.886 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -63.69 -32.31 73.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.0 0.428 . . . . 0.0 110.434 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 551' ' ' LEU . . . . . 0.625 ' HA ' HD12 ' B' ' 554' ' ' LEU . 14.7 tp -71.52 -19.07 62.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.86 -33.16 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -81.1 -38.49 27.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.859 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 554' ' ' LEU . . . . . 0.751 HD13 ' HB3' ' B' ' 565' ' ' ASN . 20.6 mt -61.75 -41.13 97.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.133 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 9.5 m -77.35 -23.23 50.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.934 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -79.66 -9.7 59.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.144 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 5.9 mmt -105.42 11.63 32.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.875 0.369 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 74.62 75.69 0.78 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.124 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.68 119.35 8.02 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 29.1 mt -84.62 -10.85 56.97 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 561' ' ' ASN . . . . . 0.606 ' HB3' ' OD1' ' B' ' 565' ' ' ASN . 4.6 t-20 -74.8 148.81 40.01 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.62 -62.78 1.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.79 0.328 . . . . 0.0 111.697 -178.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.25 -53.22 59.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.638 -178.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -53.76 -37.26 63.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.423 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 565' ' ' ASN . . . . . 0.751 ' HB3' HD13 ' B' ' 554' ' ' LEU . 3.2 m-20 -63.47 -36.49 83.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.855 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.48 ' O ' HG12 ' B' ' 570' ' ' ILE . 49.2 tp -64.55 -34.64 78.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.338 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -74.23 -45.83 45.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.854 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.89 -35.34 70.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.906 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.99 -32.02 68.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.718 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.48 HG12 ' O ' ' B' ' 566' ' ' LEU . 40.5 mm -75.67 -40.86 40.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.095 0.474 . . . . 0.0 109.905 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.2 71.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.613 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 8.6 p -93.37 -38.19 11.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.39 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 88.83 25.88 28.44 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.656 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 122.02 -16.6 8.75 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.566 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.18 85.14 3.01 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.67 -47.15 92.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.633 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -59.54 -48.86 80.02 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.09 70.97 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.431 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -67.21 -58.22 5.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.436 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 580' ' ' ILE . . . . . 0.424 HD12 HD11 ' A' ' 8' ' ' LEU . 89.1 mt -56.5 -39.22 60.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.83 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -53.16 -58.66 6.28 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.227 0.537 . . . . 0.0 110.436 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -70.88 -35.94 72.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.081 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.23 -43.64 92.36 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 584' ' ' LEU . . . . . 0.484 HD13 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -69.02 -23.18 64.04 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.655 -179.533 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -80.1 -50.82 5.31 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.927 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 69.3 m -154.75 -101.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.832 -1.08 . . . . 0.0 108.912 179.653 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -94.83 149.3 21.39 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.509 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 pt -151.31 159.36 4.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.015 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -126.72 137.42 53.25 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.524 HG21 HD12 ' A' ' 15' ' ' LEU . 74.6 t -120.21 119.29 59.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.635 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 88.4 mttt -116.15 124.36 50.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.763 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 71.2 p -80.55 178.42 8.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.221 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.609 HD13 HG13 ' A' ' 70' ' ' VAL . 43.4 tp -61.36 -38.66 87.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.077 0.465 . . . . 0.0 110.415 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 m -70.22 -24.62 63.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.562 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.95 20.99 8.38 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.611 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.635 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 84.0 tttt -77.76 155.49 31.14 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.49 125.89 52.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.409 . . . . 0.0 111.115 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.4 mt -131.35 125.25 56.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.712 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.28 137.49 32.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.524 HD12 HG21 ' A' ' 5' ' ' VAL . 39.6 mt -141.29 174.79 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.05 0.452 . . . . 0.0 111.456 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -132.12 133.53 44.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -161.37 158.02 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.285 -178.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -101.12 153.68 37.62 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.26 -18.39 58.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.091 1.861 . . . . 0.0 111.598 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.38 -2.29 58.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.847 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.68 153.79 38.74 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.942 0.401 . . . . 0.0 110.635 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -92.03 159.71 15.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.685 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.406 HG23 HD12 ' A' ' 43' ' ' LEU . 24.0 mm -61.5 -40.25 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.545 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.13 -34.79 78.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.997 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.79 -42.13 96.95 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.857 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.73 -46.66 93.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.309 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -53.87 -36.5 62.71 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.425 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.27 87.34 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.143 0.497 . . . . 0.0 110.258 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -59.87 -44.81 93.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.926 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.408 HD13 HD22 ' A' ' 69' ' ' LEU . 82.2 mt -61.45 -41.43 89.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.487 178.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.61 -37.63 84.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.196 0.522 . . . . 0.0 110.231 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.34 -44.53 64.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.947 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -69.69 -64.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.189 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -78.97 -63.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.967 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.96 19.22 3.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.977 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 mt -94.21 128.17 41.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 34.5 Cg_exo -57.01 136.79 78.78 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.633 2.222 . . . . 0.0 111.938 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.6 Cg_exo -54.5 -26.51 45.42 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.136 2.557 . . . . 0.0 113.191 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.47 -20.73 62.04 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.877 0.37 . . . . 0.0 110.773 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -99.48 -3.09 34.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.088 0.47 . . . . 0.0 110.103 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -94.26 137.53 33.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.782 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -135.6 130.73 34.89 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.406 HD12 HG23 ' A' ' 23' ' ' ILE . 6.5 mt -106.4 112.96 26.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.338 0.59 . . . . 0.0 111.511 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.46 HD11 HD13 ' B' ' 584' ' ' LEU . 1.8 mp -108.0 123.87 63.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.644 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -127.67 111.61 13.91 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.287 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.74 35.74 16.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.878 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.46 -24.51 9.82 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.626 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -83.87 146.14 28.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.792 0.33 . . . . 0.0 110.712 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -94.38 134.11 37.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.859 0.361 . . . . 0.0 110.197 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.6 mt -89.14 126.44 35.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.66 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -73.32 137.74 44.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.747 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.36 -39.02 69.56 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.347 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.3 23.36 12.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.6 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -116.57 168.86 9.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.965 0.383 . . . . 0.0 110.438 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.6 p -109.4 166.89 10.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.11 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.3 mt -71.27 -9.48 58.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.027 0.442 . . . . 0.0 110.928 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -17.97 23.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.079 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.13 -40.52 86.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.469 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -101.28 5.63 42.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.377 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 t30 65.51 95.91 0.05 Allowed 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.576 0.548 . . . . 0.0 110.893 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.0 tp -93.65 123.73 45.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.143 0.496 . . . . 0.0 110.336 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.3 pm0 -97.97 155.85 16.9 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -71.79 143.68 49.44 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.367 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 64.23 38.33 8.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.818 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 p -88.26 163.11 16.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.942 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.5 m -111.72 98.65 7.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.211 0.529 . . . . 0.0 111.091 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.4 mt -80.42 122.9 27.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.234 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.467 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 72.3 m80 -100.38 110.87 23.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.903 0.382 . . . . 0.0 110.652 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 7' ' ' THR . 12.5 tp -96.48 103.21 15.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.053 0.454 . . . . 0.0 110.456 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.609 HG13 HD13 ' A' ' 8' ' ' LEU . 97.1 t -89.0 144.38 9.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.4 mt -114.43 138.81 50.1 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.29 117.52 30.43 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.394 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.6 mt -89.09 145.99 25.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.502 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -102.55 -40.07 6.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.324 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.82 -147.78 21.21 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.535 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.153 0 CA-C-O 118.668 -1.073 . . . . 0.0 111.246 -179.483 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.77 83.33 35.94 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-O 120.785 0.326 . . . . 0.0 110.643 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -86.08 148.94 9.35 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.674 2.25 . . . . 0.0 112.429 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 539' ' ' GLU . . . . . 0.417 ' HG3' ' HB2' ' B' ' 542' ' ' ASN . 3.4 pt-20 -71.71 134.8 46.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.861 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 540' ' ' PHE . . . . . 0.424 ' CD1' ' HA ' ' B' ' 547' ' ' PHE . 42.1 m-85 -82.56 -10.46 58.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.934 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -74.85 -25.15 58.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.449 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 542' ' ' ASN . . . . . 0.51 ' OD1' ' HD2' ' B' ' 543' ' ' PRO . 5.0 t-20 -64.35 126.51 90.63 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.931 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 543' ' ' PRO . . . . . 0.51 ' HD2' ' OD1' ' B' ' 542' ' ' ASN . 31.0 Cg_endo -64.14 -14.29 42.77 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.954 2.436 . . . . 0.0 113.081 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -85.43 -2.73 58.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.444 . . . . 0.0 110.379 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 58.7 t -115.77 -58.95 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.058 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 546' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' B' ' 551' ' ' LEU . 0.6 OUTLIER 57.01 49.48 13.79 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.742 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 547' ' ' PHE . . . . . 0.424 ' HA ' ' CD1' ' B' ' 540' ' ' PHE . 0.2 OUTLIER 74.87 -33.07 0.23 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.369 -179.473 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 548' ' ' GLN . . . . . 0.428 ' H ' ' C ' ' B' ' 546' ' ' ARG . 4.6 tt0 71.1 -45.69 0.62 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.686 0.794 . . . . 0.0 112.752 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -89.41 -51.03 5.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.687 0.28 . . . . 0.0 111.09 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -69.31 -24.17 63.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.089 0.471 . . . . 0.0 110.538 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 551' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 16.5 tp -61.49 -26.33 67.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.922 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -81.97 -6.43 59.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.788 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -97.53 -41.37 8.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.493 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.71 -42.92 32.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.386 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 5.9 m -69.14 -22.61 63.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.923 0.392 . . . . 0.0 110.564 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -67.42 -15.97 63.97 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 121.351 0.596 . . . . 0.0 110.684 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 17.3 mmt -88.29 14.72 8.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.34 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 89.44 -1.83 82.38 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.796 -0.638 . . . . 0.0 113.451 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -61.55 124.87 21.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.309 0.576 . . . . 0.0 111.475 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 21.0 mt -91.09 -9.31 46.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.82 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -85.95 164.61 17.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.582 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -133.72 -50.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.77 0.319 . . . . 0.0 110.787 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -61.09 -56.62 18.77 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.282 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.17 66.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.071 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -61.68 -40.51 95.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.349 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.588 ' O ' HG12 ' B' ' 570' ' ' ILE . 55.0 tp -67.34 -36.11 80.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.698 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -70.65 -43.94 68.15 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 568' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' B' ' 579' ' ' ALA . . . -58.24 -33.6 69.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.34 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.02 -36.09 64.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.613 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.588 HG12 ' O ' ' B' ' 566' ' ' LEU . 49.3 mm -74.34 -43.84 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.139 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -55.42 -44.19 76.02 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.941 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 8.3 p -77.36 -61.07 2.11 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.262 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 108.79 -7.61 33.65 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.724 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 174.01 -38.35 0.13 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.96 -1.114 . . . . 0.0 113.254 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -76.89 87.32 3.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.129 0.49 . . . . 0.0 110.561 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 576' ' ' ILE . . . . . 0.4 ' O ' HG13 ' B' ' 580' ' ' ILE . 23.3 mt -62.03 -36.08 72.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.96 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 577' ' ' ASN . . . . . 0.415 ' CG ' ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -61.13 -43.61 98.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.918 0.389 . . . . 0.0 110.634 179.424 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -66.51 -33.74 76.37 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.116 0.484 . . . . 0.0 109.944 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 579' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' B' ' 568' ' ' ALA . . . -61.72 -55.24 32.41 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.576 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 580' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 576' ' ' ILE . 73.8 mt -51.7 -40.12 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.545 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -56.37 -57.15 13.51 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.363 0.601 . . . . 0.0 110.794 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -68.99 -40.36 78.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.766 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 30.7 tp -60.46 -41.19 93.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.977 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 584' ' ' LEU . . . . . 0.46 HD13 HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -70.47 -31.43 68.57 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.63 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -64.37 -72.81 0.64 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.514 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 74.5 m -145.01 -87.47 0.11 Allowed 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.659 -0.318 . . . . 0.0 110.91 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.478 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptt? . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 120.866 0.365 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -110.75 156.6 20.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.431 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -147.92 173.34 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.113 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -117.53 136.62 53.12 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 13' ' ' ILE . 62.8 t -130.68 123.75 55.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.59 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 77.6 mttt -117.9 142.65 47.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -90.53 -165.17 1.29 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.021 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mt -66.74 -30.29 70.49 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.309 0.576 . . . . 0.0 110.266 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.14 -36.85 20.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.339 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.53 31.81 1.44 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.26 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.59 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 88.5 tttt -64.44 148.56 50.28 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.56 91.61 4.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.928 0.394 . . . . 0.0 110.256 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 37.0 mt -101.68 112.29 34.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.933 0.397 . . . . 0.0 111.237 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -87.18 122.99 31.72 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.667 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.465 HD12 HG21 ' A' ' 5' ' ' VAL . 11.4 mt -133.01 148.39 52.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.023 0.439 . . . . 0.0 111.333 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -99.1 133.26 43.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.322 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 m -152.55 -177.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -137.6 155.61 75.16 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -58.69 -33.16 98.13 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 121.848 1.699 . . . . 0.0 111.372 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -83.45 -0.72 51.32 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.483 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -74.08 142.75 45.62 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.008 0.433 . . . . 0.0 110.536 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 7.1 m -83.72 149.99 26.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.098 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.56 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 29.0 mm -59.32 -42.82 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.881 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.02 -35.23 74.61 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.05 0.452 . . . . 0.0 110.177 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 22' ' ' THR . 64.5 m-20 -60.1 -41.52 92.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.465 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 30' ' ' ILE . 41.3 t -63.7 -45.66 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 7.9 mmmm -52.66 -41.88 64.21 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.839 178.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.71 83.66 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.133 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.32 -45.01 92.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.632 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 26' ' ' VAL . 69.1 mt -60.94 -39.49 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.979 177.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -62.99 -36.74 84.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.295 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -69.53 -48.08 61.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.647 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -67.33 -55.84 12.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.008 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -86.39 -70.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.837 0.351 . . . . 0.0 111.441 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.92 -11.36 4.5 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.061 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.57 125.54 89.86 Favored Pre-proline 0 C--N 1.327 -0.382 0 C-N-CA 122.19 0.196 . . . . 0.0 110.658 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 78.1 Cg_exo -52.02 138.88 52.59 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.908 2.405 . . . . 0.0 112.153 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.4 Cg_exo -57.99 -26.4 74.76 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.915 2.41 . . . . 0.0 113.408 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.97 -17.0 61.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 111.314 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -101.96 1.27 36.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.319 0.58 . . . . 0.0 110.125 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.41 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 78.1 mt-30 -97.28 132.71 42.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.137 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.486 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 13.8 mmt180 -125.18 126.65 45.57 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.563 ' HB3' HD12 ' A' ' 50' ' ' LEU . 23.7 mt -105.8 109.91 22.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.223 0.535 . . . . 0.0 110.963 -178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -106.19 126.09 61.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.612 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -125.6 99.31 5.95 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.349 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' B' ' 560' ' ' LEU . . . 61.1 43.89 10.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.734 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.69 -31.2 3.98 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.65 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -78.89 123.11 26.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.766 0.317 . . . . 0.0 110.523 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -79.02 131.98 36.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.077 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 43' ' ' LEU . 45.2 mt -83.18 124.91 30.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.549 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -75.21 136.62 40.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.337 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.05 -30.36 70.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.631 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.0 20.7 38.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.215 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.9 mmt-85 -122.48 167.92 12.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.913 0.357 . . . . 0.0 110.077 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -110.5 167.96 9.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.756 0.312 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.5 mt -70.2 -10.39 58.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.259 0.552 . . . . 0.0 110.479 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.87 -24.78 24.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.758 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -38.17 82.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.248 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -90.82 4.54 51.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.97 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 59.85 83.43 0.13 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.769 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 tp -67.59 139.77 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.079 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -118.79 -177.63 3.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.951 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 pttp -82.53 150.3 27.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.11 41.72 20.08 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.592 0.557 . . . . 0.0 110.971 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.3 m -77.25 137.57 38.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.229 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -121.09 96.34 5.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.261 0.553 . . . . 0.0 111.182 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -75.89 128.79 35.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.482 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.415 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 51.1 m80 -105.27 117.65 34.54 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.075 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.3 tp -92.17 106.75 18.69 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.926 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.486 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 7.4 t -105.43 155.13 6.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.722 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.45 125.44 4.34 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -88.27 127.6 35.46 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.291 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 mt -72.59 156.56 38.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -100.23 -14.11 18.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.078 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.16 153.72 22.49 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.001 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 119.169 -0.795 . . . . 0.0 111.171 179.874 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.879 -0.489 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 1.5 m -119.98 85.19 34.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 120.665 0.269 . . . . 0.0 111.161 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -87.94 169.97 6.32 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.599 2.199 . . . . 0.0 111.544 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.45 124.07 33.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.83 0.347 . . . . 0.0 110.071 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 540' ' ' PHE . . . . . 0.417 ' CD1' ' HA ' ' B' ' 547' ' ' PHE . 21.1 m-85 -67.5 -18.9 65.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.481 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -22.9 66.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.243 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -68.87 126.13 92.5 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.08 -16.69 34.4 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.264 2.643 . . . . 0.0 113.611 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -79.0 -17.51 55.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.006 0.431 . . . . 0.0 110.174 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 13.1 t -101.26 -57.84 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.506 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 546' ' ' ARG . . . . . 0.459 ' C ' ' H ' ' B' ' 548' ' ' GLN . 16.0 mtm180 56.19 47.15 20.01 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.533 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 547' ' ' PHE . . . . . 0.42 ' CE2' HD12 ' B' ' 569' ' ' LEU . 0.2 OUTLIER 73.99 -31.18 0.21 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.205 -179.112 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 548' ' ' GLN . . . . . 0.459 ' H ' ' C ' ' B' ' 546' ' ' ARG . 19.7 tt0 69.04 -40.69 0.45 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.096 0.958 . . . . 0.0 113.455 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -92.91 -46.86 7.3 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.164 -0.335 . . . . 0.0 110.9 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -71.46 -24.95 62.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.138 0.494 . . . . 0.0 110.514 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.43 -22.1 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.958 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -88.46 -5.83 58.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.212 0.53 . . . . 0.0 109.911 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.0 -43.83 6.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.811 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 24.5 mt -69.57 -41.43 75.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.155 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 6.9 m -74.81 -12.61 60.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.018 0.437 . . . . 0.0 110.597 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -79.59 -15.72 57.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.298 0.571 . . . . 0.0 109.985 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 13.0 mmt -97.24 15.26 23.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.522 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 82.0 81.93 0.87 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.862 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -152.36 113.92 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 560' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 83.9 mt -80.62 -12.46 59.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.741 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -77.17 158.62 30.26 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -123.31 -50.53 1.89 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.668 0.271 . . . . 0.0 111.624 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -68.15 -47.3 68.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.872 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -51.08 -35.48 35.15 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.353 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.99 -41.81 99.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.93 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.449 ' O ' HG12 ' B' ' 570' ' ' ILE . 29.5 tp -65.31 -39.59 92.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.759 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -71.16 -44.7 64.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.128 0.489 . . . . 0.0 109.753 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.4 -37.21 72.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.871 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' B' ' 569' ' ' LEU . 0.5 OUTLIER -70.77 -37.41 73.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.573 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.449 HG12 ' O ' ' B' ' 566' ' ' LEU . 42.4 mm -73.96 -45.74 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.528 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.82 70.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.129 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 16.2 p -83.94 -33.82 24.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.866 0.365 . . . . 0.0 111.269 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 98.08 37.81 4.26 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.566 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 89.31 23.3 34.81 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.605 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 575' ' ' ASP . . . . . 0.41 ' HB3' ' HB3' ' B' ' 578' ' ' ALA . 7.3 t70 -113.47 100.72 8.74 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 576' ' ' ILE . . . . . 0.537 ' O ' HG13 ' B' ' 580' ' ' ILE . 11.3 mt -57.16 -56.55 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.368 -178.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -45.42 81.47 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 578' ' ' ALA . . . . . 0.41 ' HB3' ' HB3' ' B' ' 575' ' ' ASP . . . -62.34 -33.89 75.58 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.409 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -66.34 -49.19 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.82 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 580' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 576' ' ' ILE . 45.3 mt -53.85 -45.44 62.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.764 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 581' ' ' GLU . . . . . 0.475 ' HA ' HD23 ' B' ' 584' ' ' LEU . 46.7 mt-10 -62.1 -46.42 89.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.268 0.556 . . . . 0.0 110.377 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -66.65 -35.6 80.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.547 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 14.0 tp -71.03 -33.81 70.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.854 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 584' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' B' ' 581' ' ' GLU . 0.3 OUTLIER -66.89 -24.0 66.06 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.07 0.462 . . . . 0.0 109.767 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -84.82 -62.87 1.65 Allowed Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 9.6 m -153.46 -81.15 0.09 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.859 0.361 . . . . 0.0 110.349 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 54.6 m . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.308 -0.853 . . . . 0.0 109.315 -179.883 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.585 ' SD ' ' HG2' ' A' ' 63' ' ' LYS . 27.0 ptt? . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.982 0.42 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -96.75 154.33 17.35 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.355 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.6 pt -150.33 169.94 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.983 0.421 . . . . 0.0 110.109 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -124.75 138.08 54.3 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.399 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 89.8 t -121.9 109.75 25.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 25.5 tttp -111.4 121.02 44.13 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.213 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.527 HG22 ' HB3' ' A' ' 69' ' ' LEU . 77.6 p -87.04 164.26 16.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.642 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.44 ' CD2' HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -66.4 -19.78 65.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 179.253 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -5.41 50.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.11 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.28 20.75 34.5 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.287 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 33.0 tttm -96.28 138.77 33.39 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.6 m -124.18 113.66 18.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.995 0.426 . . . . 0.0 110.163 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -117.45 134.6 60.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.348 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -94.33 126.36 39.53 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.16 167.34 20.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.941 0.4 . . . . 0.0 111.287 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -118.25 139.44 51.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.79 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.401 ' HA ' ' NZ ' ' A' ' 29' ' ' LYS . 13.5 m -149.26 175.54 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 15.6 mm-40 -121.57 158.02 55.07 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.0 -27.82 86.1 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.335 2.023 . . . . 0.0 112.115 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -99.16 20.92 12.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.182 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.61 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -79.26 140.85 37.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.975 0.417 . . . . 0.0 110.857 -179.565 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -85.47 148.36 26.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.376 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 54' ' ' ARG . 47.8 mm -55.68 -43.44 73.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 121.109 0.481 . . . . 0.0 110.324 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.34 -36.81 84.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.674 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -62.83 -38.69 91.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.261 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.2 t -64.89 -46.22 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -52.49 -42.0 63.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.217 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.72 97.57 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.022 0.439 . . . . 0.0 110.234 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' A' ' 17' ' ' VAL . 95.1 mttt -60.61 -46.47 90.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.691 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -61.06 -39.91 83.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.212 177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -62.03 -35.08 77.5 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.351 0.596 . . . . 0.0 110.19 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -71.73 -47.82 51.28 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.465 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -66.47 -60.18 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.304 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -85.07 -56.35 3.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.94 -5.42 9.02 Favored Glycine 0 C--N 1.321 -0.254 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.094 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.2 mt -71.25 126.04 91.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 40.8 Cg_exo -56.83 139.75 89.8 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.619 2.212 . . . . 0.0 111.879 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.3 Cg_exo -55.14 -25.34 45.39 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.023 2.482 . . . . 0.0 113.071 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -72.52 -22.79 60.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.14 0.495 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -97.6 4.11 50.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.439 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -102.25 129.9 48.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.75 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -124.42 131.58 53.5 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mt -109.88 118.12 35.63 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -112.66 120.4 62.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.646 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -128.54 111.96 13.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.517 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.87 43.83 26.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.772 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.07 2.82 83.77 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.203 -0.522 . . . . 0.0 113.439 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -113.01 124.91 53.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.998 0.399 . . . . 0.0 110.798 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -79.96 120.66 24.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.118 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -81.37 120.85 25.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.136 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.44 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 50.0 mt-10 -81.01 148.47 29.72 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.67 -35.79 73.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.857 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.64 37.74 3.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.204 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.44 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 25.9 mmt180 -134.1 170.58 15.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.855 0.359 . . . . 0.0 110.161 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.6 p -120.08 169.97 9.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.06 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.516 HD22 HD12 ' A' ' 61' ' ' ILE . 65.1 mt -70.43 -13.2 62.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.298 0.57 . . . . 0.0 110.192 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -26.18 30.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -64.24 -42.84 96.34 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.367 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -94.93 4.59 53.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 54.37 61.08 3.18 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.818 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.516 HD12 HD22 ' A' ' 56' ' ' LEU . 62.7 mt -83.38 126.76 40.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.467 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -80.66 -179.24 7.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.969 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 50.7 mtmt -88.65 151.34 22.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.849 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 61.19 39.18 16.14 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.499 0.666 . . . . 0.0 109.847 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.6 m -89.81 158.06 17.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.065 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.3 m -110.25 110.74 21.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.581 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 5.7 mp -102.64 140.78 36.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.133 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 92.8 m-70 -106.6 116.33 31.73 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.527 ' HB3' HG22 ' A' ' 7' ' ' THR . 13.4 tp -91.07 129.4 37.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.272 0.558 . . . . 0.0 110.397 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.44 HG13 ' CD2' ' A' ' 8' ' ' LEU . 65.1 t -110.73 138.06 40.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.678 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.8 mt -99.23 -172.33 2.25 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -146.39 99.32 3.21 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.064 0.459 . . . . 0.0 110.115 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.9 mt -78.11 87.66 4.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.035 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -71.45 -24.15 61.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.313 0.578 . . . . 0.0 109.491 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.53 137.75 11.5 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.248 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.813 -0.993 . . . . 0.0 111.495 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.842 0 N-CA-C 111.799 -0.52 . . . . 0.0 111.799 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.81 78.47 69.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.873 0.368 . . . . 0.0 110.943 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -89.09 170.06 5.02 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.562 2.175 . . . . 0.0 112.657 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -85.21 135.12 34.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.276 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -77.06 -15.36 59.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.069 0.461 . . . . 0.0 110.219 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -66.86 -23.3 66.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.314 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 542' ' ' ASN . . . . . 0.47 ' OD1' ' HG2' ' B' ' 544' ' ' GLU . 32.2 t-20 -73.44 123.01 89.03 Favored Pre-proline 0 C--O 1.237 0.397 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.344 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.49 -28.72 37.16 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.528 2.818 . . . . 0.0 113.813 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 544' ' ' GLU . . . . . 0.47 ' HG2' ' OD1' ' B' ' 542' ' ' ASN . 9.1 pt-20 -65.71 -32.44 74.0 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.452 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 40.5 t -81.79 -53.74 11.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.822 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 546' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 59.7 37.21 22.34 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.973 0.416 . . . . 0.0 110.27 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 547' ' ' PHE . . . . . 0.45 ' HB3' ' HB2' ' B' ' 550' ' ' GLN . 0.2 OUTLIER 73.96 -6.99 1.71 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.263 -179.148 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 65.37 -63.28 0.2 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -91.1 -37.29 13.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 550' ' ' GLN . . . . . 0.45 ' HB2' ' HB3' ' B' ' 547' ' ' PHE . 17.8 mm-40 -66.95 -29.08 68.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 111.136 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 14.1 tp -64.74 -22.7 67.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.508 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -78.6 -16.43 57.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.184 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -93.3 -40.91 10.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.372 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 4.3 mt -69.83 -40.46 75.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.637 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 13.3 m -74.58 -18.92 60.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.48 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.47 -15.22 63.22 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.331 0.586 . . . . 0.0 110.229 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 557' ' ' MET . . . . . 0.534 ' HG3' HD13 ' B' ' 580' ' ' ILE . 47.6 mmm -94.64 12.57 27.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.305 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 71.73 70.04 1.28 Allowed Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.488 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -125.74 133.53 52.05 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 19.4 mt -94.95 -10.37 31.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.783 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -83.35 157.45 22.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 73.8 mmt-85 -129.47 -50.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.622 0.248 . . . . 0.0 111.198 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -64.67 -49.64 70.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.213 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 564' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' B' ' 583' ' ' LEU . . . -58.65 -36.62 74.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.02 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.29 -43.84 98.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.327 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.653 ' O ' HG12 ' B' ' 570' ' ' ILE . 65.6 tp -68.39 -35.78 78.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.891 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -69.7 -45.7 67.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.488 0.661 . . . . 0.0 109.698 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -58.75 -32.6 69.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.672 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' B' ' 569' ' ' LEU . 0.4 OUTLIER -74.24 -35.19 63.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.567 179.607 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.653 HG12 ' O ' ' B' ' 566' ' ' LEU . 44.4 mm -71.11 -42.98 75.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -60.3 -35.98 76.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.716 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 4.7 p -85.07 -44.26 13.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.853 0.359 . . . . 0.0 111.352 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 96.24 2.91 60.37 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.422 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 147.08 -24.34 1.59 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.291 -0.956 . . . . 0.0 112.877 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.82 85.64 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.167 0.508 . . . . 0.0 110.131 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 31.1 mt -58.0 -42.94 83.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.693 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -45.31 94.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.481 0.181 . . . . 0.0 111.374 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -65.04 -35.42 81.1 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.814 0.34 . . . . 0.0 110.251 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -61.04 -57.26 13.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.988 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 580' ' ' ILE . . . . . 0.534 HD13 ' HG3' ' B' ' 557' ' ' MET . 64.7 mt -52.48 -43.96 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.05 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -61.73 -53.3 57.91 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.944 0.402 . . . . 0.0 111.471 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -69.94 -35.86 74.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.039 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 583' ' ' LEU . . . . . 0.453 HD11 ' HB1' ' B' ' 564' ' ' ALA . 59.8 tp -56.37 -49.15 75.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 584' ' ' LEU . . . . . 0.404 ' CD2' HG11 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -73.59 -26.08 60.64 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.705 -179.386 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -73.87 -41.68 40.62 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.003 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 49.7 m -153.05 -78.83 0.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 C--O 1.246 0.904 0 CA-C-O 117.672 -1.156 . . . . 0.0 108.891 -179.607 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.651 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 22.6 ptt? . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -88.12 150.77 23.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.684 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.467 HG12 HG22 ' A' ' 17' ' ' VAL . 2.7 pt -152.53 178.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -131.28 135.71 47.55 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.529 HG21 HD12 ' A' ' 15' ' ' LEU . 61.0 t -118.09 106.06 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.638 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 24.7 mtpp -106.29 121.17 43.66 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.671 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 74.5 p -79.38 159.86 26.93 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.434 HD22 ' H ' ' A' ' 71' ' ' LEU . 2.4 pt? -59.36 -26.69 65.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.042 0.448 . . . . 0.0 110.556 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -14.97 63.04 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.583 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.05 32.57 6.39 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.065 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.638 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 84.6 tttt -108.1 149.22 28.76 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m -123.99 114.66 20.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.092 0.472 . . . . 0.0 111.688 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mp -112.52 126.62 69.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.111 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.63 143.6 30.88 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.529 HD12 HG21 ' A' ' 5' ' ' VAL . 15.3 mt -152.13 164.05 38.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.933 0.397 . . . . 0.0 111.525 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.34 136.51 53.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.651 ' O ' ' HG2' ' A' ' 1' ' ' MET . 2.8 m -155.84 154.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 53.7 mm-40 -107.53 155.7 39.17 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.014 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.51 -26.85 56.47 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.152 1.901 . . . . 0.0 112.278 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.07 6.11 47.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.975 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -76.69 146.56 38.0 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.584 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -84.61 152.67 23.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.462 -179.644 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 54' ' ' ARG . 48.3 mm -62.1 -41.35 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.17 0.51 . . . . 0.0 110.051 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -65.53 -37.99 88.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.979 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' HB2' ' OG1' ' A' ' 22' ' ' THR . 17.9 t30 -60.04 -38.24 82.15 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.911 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 22' ' ' THR . 49.7 t -66.25 -44.4 91.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -53.9 -38.1 64.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.936 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.28 -41.35 94.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.025 0.44 . . . . 0.0 109.901 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -60.79 -44.66 96.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.731 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.91 -37.48 78.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.019 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.414 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.2 tt0 -64.82 -34.76 79.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.194 0.521 . . . . 0.0 109.79 177.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -69.88 -46.88 64.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.294 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -72.23 -58.99 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.954 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -86.68 -52.28 5.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 111.66 19.65 7.29 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.152 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.2 mt -93.49 130.61 34.79 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.71 132.87 42.18 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.44 2.093 . . . . 0.0 111.76 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -51.11 -24.57 14.92 Favored 'Trans proline' 0 N--CA 1.476 0.465 0 C-N-CA 123.609 2.872 . . . . 0.0 114.079 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.36 -24.04 61.22 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.406 0.622 . . . . 0.0 110.713 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -98.74 -1.32 40.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.121 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -94.46 128.15 40.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.724 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -123.01 125.07 44.54 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.5 mt -107.1 113.98 27.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.117 0.484 . . . . 0.0 110.891 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.35 130.25 68.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.821 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -131.92 119.84 21.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.694 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.412 ' O ' ' HG ' ' B' ' 560' ' ' LEU . . . 63.41 14.51 7.99 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.646 0.591 . . . . 0.0 111.765 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.95 -6.9 48.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.616 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -104.94 133.36 49.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.565 0.221 . . . . 0.0 110.465 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -81.19 127.88 33.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -80.19 121.72 25.95 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.107 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.75 144.25 55.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.609 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.38 -40.93 83.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.63 45.92 3.51 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.813 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' O ' HG12 ' A' ' 23' ' ' ILE . 65.5 mmt-85 -139.81 170.56 15.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.6 p -120.5 170.31 9.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.141 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD22 HG13 ' A' ' 61' ' ' ILE . 57.7 mt -72.32 -5.93 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.219 0.533 . . . . 0.0 110.782 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -19.04 26.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.668 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -70.68 -50.58 35.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.898 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -90.63 3.54 53.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.4 t30 57.49 83.7 0.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.367 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.42 HG13 HD22 ' A' ' 56' ' ' LEU . 44.8 mm -95.96 125.52 48.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.221 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -89.87 -177.94 5.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.012 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 tmmt? -80.76 142.49 33.73 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 61.57 36.17 16.98 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.418 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.6 m -79.66 153.78 29.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.321 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -96.7 90.05 5.16 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.141 0.496 . . . . 0.0 111.323 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -84.0 130.57 34.88 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.588 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 58.3 m80 -104.72 116.4 31.96 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 7' ' ' THR . 19.4 tp -94.31 112.11 23.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.517 HG11 HD21 ' B' ' 584' ' ' LEU . 23.8 t -100.14 142.72 14.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.133 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.434 ' H ' HD22 ' A' ' 8' ' ' LEU . 8.8 mt -130.57 116.26 17.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.506 ' HD3' ' OE1' ' B' ' 581' ' ' GLU . 0.0 OUTLIER -84.15 114.95 22.15 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.4 mt -80.41 135.58 36.19 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.068 0.461 . . . . 0.0 110.991 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -89.47 -34.58 16.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.675 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.36 -143.08 13.99 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.19 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 119.037 -0.868 . . . . 0.0 111.418 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 17.0 m -141.43 82.66 14.13 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.917 0.389 . . . . 0.0 110.253 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -84.21 172.93 9.22 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.902 2.401 . . . . 0.0 112.1 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -93.21 124.87 37.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.919 0.39 . . . . 0.0 110.063 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -66.75 -12.95 60.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.289 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -72.68 -23.27 60.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.523 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.14 126.72 92.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.403 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 543' ' ' PRO . . . . . 0.415 ' O ' ' HG3' ' B' ' 546' ' ' ARG . 36.5 Cg_endo -65.47 -12.76 36.47 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.678 2.252 . . . . 0.0 112.795 -179.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.42 -27.44 31.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.874 0.369 . . . . 0.0 110.425 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 56.6 t -75.59 -49.73 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.002 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 546' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' B' ' 543' ' ' PRO . 8.5 mtm180 57.97 28.1 15.72 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.289 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 73.16 -20.62 0.28 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.557 0.743 . . . . 0.0 112.203 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 548' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' B' ' 546' ' ' ARG . 75.2 mt-30 70.28 -48.68 0.64 Allowed 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 178.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -97.66 -41.86 7.92 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -176.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -68.94 -39.3 79.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 551' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 2.0 tp -68.06 -18.68 64.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.688 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -76.8 -20.37 56.49 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -94.91 -34.04 12.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.391 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 29.9 mt -72.9 -41.17 64.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.983 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 6.0 t -68.28 -24.91 64.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.305 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -76.1 -27.05 56.99 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.216 0.531 . . . . 0.0 109.743 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 20.7 mmt -82.13 -3.31 54.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.497 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 86.67 99.74 0.8 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.856 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -152.59 149.89 28.94 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 560' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 32.2 mt -113.56 -27.83 7.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.716 0.294 . . . . 0.0 111.653 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -89.57 98.75 11.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.294 0.569 . . . . 0.0 110.633 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -66.32 -43.91 84.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.027 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -63.19 -51.38 66.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.072 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 564' ' ' ALA . . . . . 0.405 ' HB1' HD11 ' B' ' 583' ' ' LEU . . . -55.46 -36.25 66.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.217 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -62.2 -41.8 98.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.056 0.455 . . . . 0.0 110.584 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 56.0 tp -65.99 -36.85 84.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.384 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -73.14 -45.62 55.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.165 0.507 . . . . 0.0 110.04 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.04 -37.33 71.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.9 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' B' ' 569' ' ' LEU . 0.4 OUTLIER -70.88 -36.14 72.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.778 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 33.5 mm -75.13 -43.77 44.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.27 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.11 70.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.884 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.406 HG21 ' N ' ' B' ' 579' ' ' ALA . 16.3 p -89.78 -9.6 48.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.767 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 79.43 16.32 78.24 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.998 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 574' ' ' GLY . . . . . 0.445 ' HA2' HD13 ' B' ' 569' ' ' LEU . . . 114.9 -9.85 21.12 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.311 -0.947 . . . . 0.0 113.162 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -75.1 98.5 3.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.001 0.429 . . . . 0.0 110.56 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 576' ' ' ILE . . . . . 0.412 ' O ' HG13 ' B' ' 580' ' ' ILE . 66.6 mt -56.98 -50.96 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.999 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -47.51 81.58 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -62.13 -34.58 76.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.392 . . . . 0.0 110.492 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 579' ' ' ALA . . . . . 0.406 ' N ' HG21 ' B' ' 572' ' ' THR . . . -63.64 -51.95 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.597 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 580' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 576' ' ' ILE . 69.1 mt -52.95 -48.05 52.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.163 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 581' ' ' GLU . . . . . 0.506 ' OE1' ' HD3' ' A' ' 72' ' ' ARG . 25.5 mt-10 -59.5 -51.72 68.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.161 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -67.69 -38.62 83.94 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 583' ' ' LEU . . . . . 0.405 HD11 ' HB1' ' B' ' 564' ' ' ALA . 14.0 tp -60.88 -42.29 97.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -177.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 584' ' ' LEU . . . . . 0.517 HD21 HG11 ' A' ' 70' ' ' VAL . 2.4 pp -97.08 -2.48 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.283 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -73.49 -75.79 0.72 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.445 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 73.2 m -140.2 -76.33 0.33 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.857 0.361 . . . . 0.0 110.386 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.247 0.927 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.421 179.921 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 120.839 0.352 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -101.53 154.74 18.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.001 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.6 pt -148.2 175.11 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.828 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -125.73 139.36 53.6 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 12' ' ' THR . 76.7 t -127.79 127.68 68.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.822 0.344 . . . . 0.0 110.574 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.72 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 24.6 mtpp -125.29 129.92 50.97 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -80.51 178.02 8.6 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.974 0.416 . . . . 0.0 111.662 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.9 tp -61.67 -28.34 69.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.651 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.89 -44.68 22.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.719 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.4 9.28 1.63 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.609 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.72 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 77.8 tttt -68.59 149.85 48.7 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 1.4 m -120.74 122.99 41.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.859 0.362 . . . . 0.0 111.081 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.2 mt -122.79 125.15 71.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -85.99 128.52 34.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.075 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.1 157.28 46.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.153 0.501 . . . . 0.0 111.733 -179.128 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -112.43 136.3 52.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.037 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 m -148.79 -179.46 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.523 ' O ' HD12 ' A' ' 56' ' ' LEU . 15.8 mm-40 -123.21 157.24 61.71 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -58.1 -36.21 98.12 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.384 2.056 . . . . 0.0 112.084 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -95.56 16.7 16.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.415 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.419 ' HB2' ' H ' ' A' ' 18' ' ' GLU . 6.9 t0 -77.52 134.42 38.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.052 0.453 . . . . 0.0 110.34 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.21 146.78 38.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.348 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.573 HG23 HD12 ' A' ' 43' ' ' LEU . 35.8 mm -54.81 -42.05 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.695 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -57.06 -42.03 79.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.655 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -59.17 -42.6 91.18 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.222 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 30' ' ' ILE . 18.5 t -63.05 -48.65 86.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.762 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -55.27 -39.21 69.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.231 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.04 94.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.172 0.511 . . . . 0.0 109.829 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.74 -46.71 88.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.625 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 26' ' ' VAL . 72.0 mt -59.08 -40.12 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.333 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.27 -34.05 77.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.122 0.487 . . . . 0.0 110.545 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -68.0 -45.98 72.58 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.294 0.568 . . . . 0.0 110.201 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -71.66 -60.51 2.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.463 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -80.88 -55.64 4.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.28 3.01 15.32 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.967 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 mt -75.69 124.05 88.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 46.5 Cg_exo -56.65 137.86 82.65 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.478 2.118 . . . . 0.0 111.683 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.3 Cg_exo -55.4 -27.09 56.63 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.994 2.463 . . . . 0.0 112.953 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -72.22 -16.1 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.232 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -109.04 1.97 20.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.011 0.434 . . . . 0.0 110.613 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -95.85 119.27 34.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.0 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 63.1 mtt180 -118.04 127.86 54.21 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.573 HD12 HG23 ' A' ' 23' ' ' ILE . 30.4 mt -106.06 112.15 25.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.378 0.608 . . . . 0.0 111.572 -177.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -107.38 131.44 57.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -138.72 121.93 16.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.534 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.26 30.71 19.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.741 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.409 ' CA ' ' HA ' ' B' ' 559' ' ' PHE . . . 80.79 11.84 83.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.299 179.022 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -124.77 149.52 47.26 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.505 ' HB3' HD11 ' B' ' 584' ' ' LEU . 8.1 pt20 -88.89 135.73 33.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.074 0.464 . . . . 0.0 111.024 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.2 mt -94.89 124.53 38.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.572 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 42.3 mt-10 -76.76 145.58 38.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.711 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -63.26 -31.86 73.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.818 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.29 22.21 10.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.907 -0.663 . . . . 0.0 113.579 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.483 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 32.0 mmt180 -122.38 164.04 18.7 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.0 p -109.86 170.18 8.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.25 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 18' ' ' GLU . 59.4 mt -70.69 -9.75 57.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.296 0.57 . . . . 0.0 110.182 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.5 -23.44 20.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.328 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.28 -43.54 94.49 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.354 0.597 . . . . 0.0 111.054 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -92.44 5.8 49.41 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.059 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.4 m120 55.23 41.68 31.17 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.329 0.585 . . . . 0.0 110.46 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.5 mt -69.19 130.27 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.847 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.46 169.48 13.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.982 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -72.79 163.79 27.57 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 58.29 33.84 23.51 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 123.578 0.549 . . . . 0.0 110.454 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.61 154.38 32.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.95 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -108.83 85.85 2.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.261 0.553 . . . . 0.0 110.621 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.55 127.99 34.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.91 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.633 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 45.8 m80 -105.56 117.28 33.61 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.225 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 42' ' ' ARG . 13.9 tp -88.78 101.71 14.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.613 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.0 t -86.19 139.06 17.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.242 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.462 ' O ' ' HG2' ' B' ' 581' ' ' GLU . 25.1 mt -114.49 173.62 6.37 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -132.23 116.62 17.18 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.9 mt -72.85 113.12 9.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.335 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -91.93 -13.61 30.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.106 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.67 132.34 5.56 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.475 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.311 -1.272 . . . . 0.0 111.676 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 112.13 -0.388 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 12.1 m -142.7 91.15 7.5 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 122.637 -0.331 . . . . 0.0 110.578 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -87.36 171.72 6.28 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 122.833 2.355 . . . . 0.0 111.873 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 539' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' B' ' 542' ' ' ASN . 3.3 pt-20 -83.5 128.19 34.32 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.316 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -70.52 -18.7 62.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -69.45 -22.54 63.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.837 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 542' ' ' ASN . . . . . 0.466 ' HB2' ' HG3' ' B' ' 539' ' ' GLU . 6.0 t-20 -66.22 123.25 84.81 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.011 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.36 -12.98 35.69 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.868 2.379 . . . . 0.0 112.63 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 544' ' ' GLU . . . . . 0.427 ' HG2' ' CG ' ' B' ' 542' ' ' ASN . 10.1 pt-20 -78.95 -14.42 59.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.173 0.511 . . . . 0.0 109.766 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 47.1 t -109.53 -55.28 5.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 546' ' ' ARG . . . . . 0.545 ' HA ' HD13 ' B' ' 566' ' ' LEU . 3.5 mtm180 59.36 44.12 15.65 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.049 -179.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 547' ' ' PHE . . . . . 0.429 ' C ' ' H ' ' B' ' 549' ' ' GLN . 2.6 m-85 74.21 -33.06 0.24 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.806 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 548' ' ' GLN . . . . . 0.411 ' H ' ' C ' ' B' ' 546' ' ' ARG . 29.3 tt0 70.79 -33.59 0.27 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.824 0.85 . . . . 0.0 112.144 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 549' ' ' GLN . . . . . 0.429 ' H ' ' C ' ' B' ' 547' ' ' PHE . 61.8 mm-40 -95.01 -49.23 5.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.002 0.43 . . . . 0.0 110.546 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -68.14 -34.66 76.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.254 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 14.4 tp -66.61 -16.03 63.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.134 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 552' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' B' ' 549' ' ' GLN . 45.9 tp10 -80.92 -26.0 37.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.774 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -93.05 -35.56 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.889 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 30.1 mt -64.82 -38.61 91.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.148 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 5.2 m -82.53 -11.15 58.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.565 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -76.94 -24.38 52.38 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.646 0.736 . . . . 0.0 109.199 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 20.2 mmt -92.24 7.34 43.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.498 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 82.23 88.84 0.67 Allowed Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.967 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 559' ' ' PHE . . . . . 0.409 ' HA ' ' CA ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER -152.21 123.49 7.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.636 0.255 . . . . 0.0 110.515 -179.773 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 92.2 mt -95.05 -12.23 26.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.772 0.32 . . . . 0.0 110.97 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 561' ' ' ASN . . . . . 0.432 ' HB3' ' OD1' ' B' ' 565' ' ' ASN . 5.3 t-20 -67.9 145.32 54.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.199 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -116.58 -65.8 1.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.609 0.225 . . . . 0.0 111.609 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -57.53 -59.41 5.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.867 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 564' ' ' ALA . . . . . 0.608 ' HB1' HD11 ' B' ' 583' ' ' LEU . . . -51.06 -37.53 46.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.877 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 565' ' ' ASN . . . . . 0.432 ' OD1' ' HB3' ' B' ' 561' ' ' ASN . 5.1 m-20 -61.52 -39.11 89.84 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.039 0.447 . . . . 0.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.545 HD13 ' HA ' ' B' ' 546' ' ' ARG . 42.0 tp -68.04 -40.13 82.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.853 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -72.13 -40.04 68.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.201 0.524 . . . . 0.0 109.897 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -59.28 -37.01 76.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.363 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' B' ' 569' ' ' LEU . 0.5 OUTLIER -71.28 -38.78 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.106 179.477 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.416 HG12 ' O ' ' B' ' 566' ' ' LEU . 33.4 mm -67.03 -46.11 85.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.046 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -59.09 -33.95 71.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.483 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.427 HG21 ' N ' ' B' ' 579' ' ' ALA . 10.4 p -89.92 -27.03 20.12 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 83.46 20.42 60.28 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.7 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 122.95 -18.2 8.0 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.24 -0.981 . . . . 0.0 113.684 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -75.34 92.43 2.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.173 0.511 . . . . 0.0 110.461 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 42.9 mt -55.67 -47.98 78.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.109 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -57.88 -46.39 84.95 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -63.1 -37.08 85.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.949 0.404 . . . . 0.0 110.54 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 579' ' ' ALA . . . . . 0.427 ' N ' HG21 ' B' ' 572' ' ' THR . . . -62.49 -55.4 27.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.786 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 91.7 mt -52.93 -44.3 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.224 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 581' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 44.8 mt-10 -60.41 -56.49 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.463 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 19.7 ttt85 -63.83 -37.04 85.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.978 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 583' ' ' LEU . . . . . 0.608 HD11 ' HB1' ' B' ' 564' ' ' ALA . 17.6 tp -70.62 -15.76 62.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.717 -178.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 584' ' ' LEU . . . . . 0.505 HD11 ' HB3' ' A' ' 49' ' ' GLN . 19.3 tp -73.76 -28.46 61.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.925 0.393 . . . . 0.0 110.748 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -109.07 -38.85 1.77 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.508 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 586' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' B' ' 583' ' ' LEU . 13.0 m -133.74 -158.04 0.85 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.736 0.303 . . . . 0.0 110.384 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.446 -0.787 . . . . 0.0 109.468 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.783 0.325 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -105.16 155.73 18.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.768 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.7 pt -147.27 169.66 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.088 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -121.77 135.93 54.93 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.471 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 58.9 t -124.24 124.06 67.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.655 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 93.1 mttt -117.38 122.62 44.34 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.454 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.87 -177.73 6.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.99 -29.15 67.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.625 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -84.89 3.45 38.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.25 31.22 57.59 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.191 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.655 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 73.9 tttt -78.11 156.89 29.7 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -117.01 94.84 4.74 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.839 0.352 . . . . 0.0 110.59 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.3 mt -101.24 118.86 48.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.254 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.95 132.18 36.11 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.067 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.19 163.94 31.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.103 0.478 . . . . 0.0 111.443 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -112.54 135.22 53.5 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.379 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.1 m -146.82 -177.25 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.235 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 14.8 mm-40 -133.63 159.34 72.87 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.97 -30.35 91.49 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.12 1.88 . . . . 0.0 111.113 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.03 26.86 4.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.965 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -91.06 137.47 32.34 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.301 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 26' ' ' VAL . 37.5 p -87.43 152.54 22.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.2 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.6 mm -59.06 -37.56 68.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.91 0.386 . . . . 0.0 110.129 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -61.3 -40.21 93.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.749 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -66.8 -39.71 87.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.578 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 22' ' ' THR . 40.0 t -62.61 -49.97 81.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -54.08 -35.88 62.54 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.961 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.51 92.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.139 0.495 . . . . 0.0 110.387 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -60.54 -49.75 76.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.308 178.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.2 mt -60.68 -37.48 75.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.166 0.508 . . . . 0.0 110.143 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -61.38 -37.09 82.14 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.436 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.95 -46.7 50.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.471 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -65.87 -65.91 0.62 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.655 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -78.42 -52.42 8.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.722 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.45 -1.6 14.1 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.925 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.401 ' H ' HG13 ' A' ' 36' ' ' ILE . 14.9 mt -69.45 127.51 92.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.55 132.66 36.39 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.474 2.116 . . . . 0.0 111.648 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -52.01 -32.27 47.67 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.089 2.526 . . . . 0.0 113.341 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -69.11 -14.38 62.97 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.198 0.523 . . . . 0.0 111.234 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -109.52 4.04 21.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.066 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -104.31 123.4 47.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.411 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.429 ' O ' HD12 ' A' ' 69' ' ' LEU . 77.4 mtt180 -122.24 135.49 54.76 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HB3' HD12 ' A' ' 50' ' ' LEU . 17.2 mt -110.57 121.17 44.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.224 0.535 . . . . 0.0 112.398 -177.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.68 129.9 66.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.743 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -130.77 109.51 10.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.762 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.74 20.7 10.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.906 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.82 -4.66 49.99 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.816 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -99.61 138.29 36.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.526 0.203 . . . . 0.0 110.503 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -87.94 118.69 27.66 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' A' ' 43' ' ' LEU . 12.8 mt -80.52 119.71 23.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.128 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.492 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 14.4 mt-10 -77.1 149.94 35.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.433 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -47.27 82.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.9 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.4 45.03 2.99 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.261 -0.495 . . . . 0.0 113.571 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.492 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.6 mmt180 -132.51 164.76 25.88 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 21.2 p -113.67 159.53 19.58 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.264 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.3 mt -67.61 -10.39 51.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.22 0.533 . . . . 0.0 110.48 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -22.24 29.57 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.762 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -67.67 -50.66 56.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.979 0.419 . . . . 0.0 110.911 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -87.93 5.42 40.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.411 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 56.36 51.27 11.75 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.661 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.6 mm -79.3 103.15 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.023 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -82.4 -176.59 6.29 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.308 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -74.21 159.8 32.03 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.948 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 65.0 12.54 7.98 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.01 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.0 m -73.5 150.48 41.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.602 0.239 . . . . 0.0 110.736 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.3 m -105.85 102.11 11.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.187 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 6.1 mp -92.69 133.27 36.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.375 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.484 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 75.4 m80 -104.22 118.28 36.26 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.869 0.366 . . . . 0.0 111.01 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 42' ' ' ARG . 27.7 tp -91.29 117.52 29.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.2 t -99.19 131.83 45.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.331 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.1 mt -114.87 88.17 2.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.726 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.448 ' HD3' ' OE1' ' B' ' 581' ' ' GLU . 0.0 OUTLIER -80.62 116.51 20.69 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.9 mt -101.17 165.83 11.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -87.86 -19.08 27.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.684 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.35 -154.38 27.88 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.023 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.92 -0.934 . . . . 0.0 111.78 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 24.3 m -120.87 89.71 45.87 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-O 120.798 0.333 . . . . 0.0 110.24 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.65 168.38 12.7 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.628 2.219 . . . . 0.0 112.266 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -96.3 125.68 40.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -70.26 -11.36 60.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.29 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -74.52 -16.85 60.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.996 0.427 . . . . 0.0 110.206 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -76.19 124.84 88.35 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.016 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.86 -8.88 19.2 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.971 2.447 . . . . 0.0 113.376 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -85.26 -19.22 31.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.094 0.473 . . . . 0.0 110.345 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 59.1 t -92.46 -45.61 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.256 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 546' ' ' ARG . . . . . 0.403 ' C ' ' H ' ' B' ' 548' ' ' GLN . 1.5 mtt180 56.7 39.08 29.89 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.535 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 75.22 -17.24 0.51 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.577 0.751 . . . . 0.0 111.625 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 548' ' ' GLN . . . . . 0.403 ' H ' ' C ' ' B' ' 546' ' ' ARG . 13.0 tt0 68.22 -52.27 0.54 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -93.55 -40.58 10.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.274 -0.266 . . . . 0.0 111.694 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -69.55 -29.52 67.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.077 0.465 . . . . 0.0 110.748 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 551' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' B' ' 555' ' ' SER . 15.1 tp -62.52 -24.25 67.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.709 179.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -80.41 -15.32 57.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.696 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -95.13 -36.5 11.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.956 0.408 . . . . 0.0 110.087 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.25 -37.32 61.06 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 555' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' B' ' 551' ' ' LEU . 0.3 OUTLIER -71.12 -18.76 62.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.892 178.876 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.44 -23.69 63.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.129 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 557' ' ' MET . . . . . 0.487 ' HG3' HD13 ' B' ' 580' ' ' ILE . 23.9 mmt -95.77 -11.89 26.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.192 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 87.52 116.31 1.15 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.785 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -154.05 128.56 9.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 26.0 mt -71.78 -28.56 63.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.457 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -85.8 157.02 20.34 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.041 0.448 . . . . 0.0 110.727 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -122.21 -43.97 2.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.782 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -69.42 -42.99 74.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.571 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 564' ' ' ALA . . . . . 0.544 ' HB1' HD11 ' B' ' 583' ' ' LEU . . . -56.2 -36.27 68.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.891 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -61.69 -41.88 98.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.332 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 46.0 tp -64.74 -36.16 83.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.873 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -75.09 -40.45 60.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.907 0.384 . . . . 0.0 110.445 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 568' ' ' ALA . . . . . 0.517 ' HB2' HD13 ' B' ' 583' ' ' LEU . . . -56.8 -35.82 69.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.044 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' B' ' 569' ' ' LEU . 0.7 OUTLIER -72.66 -33.74 66.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.925 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 21.8 mm -76.32 -42.35 36.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.843 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -57.84 -40.77 80.85 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.215 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 11.5 p -80.37 -50.84 9.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.38 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 109.85 1.43 30.38 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.178 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 147.48 -24.39 1.53 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.55 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -74.21 92.12 2.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.011 0.434 . . . . 0.0 110.689 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 78.2 mt -61.56 -42.09 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.808 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.41 -45.21 94.43 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 122.148 -0.345 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -66.1 -33.68 76.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.064 0.459 . . . . 0.0 109.907 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 579' ' ' ALA . . . . . 0.434 ' HB1' ' HB1' ' B' ' 568' ' ' ALA . . . -60.26 -56.15 24.97 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.772 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 580' ' ' ILE . . . . . 0.487 HD13 ' HG3' ' B' ' 557' ' ' MET . 41.9 mt -52.74 -40.21 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.342 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 581' ' ' GLU . . . . . 0.448 ' OE1' ' HD3' ' A' ' 72' ' ' ARG . 18.9 mt-10 -63.38 -49.49 73.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.379 0.609 . . . . 0.0 110.808 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 15.9 ttt85 -73.34 -36.98 66.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.307 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 583' ' ' LEU . . . . . 0.544 HD11 ' HB1' ' B' ' 564' ' ' ALA . 17.1 tp -65.08 -24.71 67.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.212 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 584' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.16 -22.03 65.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.927 0.394 . . . . 0.0 110.093 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -89.12 -61.81 1.39 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.919 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 37.5 m -149.04 -90.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.606 -0.349 . . . . 0.0 110.957 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 587' ' ' SER . . . . . 1.205 ' OG ' ' CB ' ' B' ' 587' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.238 0 CA-C-O 118.731 -0.652 . . . . 0.0 110.123 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptt? . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.854 0.359 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -110.09 158.39 18.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.997 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 pt -151.85 -175.43 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.92 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -132.11 137.19 47.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.31 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -128.61 130.02 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.097 0.475 . . . . 0.0 110.525 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -118.14 172.31 7.51 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.446 ' HB ' ' H ' ' A' ' 8' ' ' LEU . 13.5 p -120.11 -145.1 0.36 Allowed 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' H ' ' HB ' ' A' ' 7' ' ' THR . 14.1 tp -75.97 -14.89 60.24 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 p -110.14 -172.0 1.95 Allowed 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.826 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.23 26.54 6.87 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.86 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -69.77 152.85 44.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.701 0.286 . . . . 0.0 110.888 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.0 m -130.02 118.67 21.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.891 0.376 . . . . 0.0 111.231 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mt -117.94 124.4 73.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.309 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.52 139.7 31.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.341 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mt -148.68 141.68 24.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.976 0.417 . . . . 0.0 111.505 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -91.94 134.17 35.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 m -151.31 -172.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -147.1 158.82 44.13 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.09 -38.64 90.78 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 121.88 1.72 . . . . 0.0 111.768 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.56 2.99 23.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.126 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -78.16 131.81 37.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.498 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -75.99 152.78 36.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -179.569 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 54' ' ' ARG . 38.5 mm -60.39 -38.89 79.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.525 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -60.59 -39.66 88.91 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 22' ' ' THR . 28.0 m-20 -58.39 -45.32 88.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.758 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.48 -46.61 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.624 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -52.69 -42.71 65.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.154 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.33 96.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.98 0.419 . . . . 0.0 109.994 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.25 -45.58 90.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.607 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.6 mt -60.22 -40.38 83.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.238 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.416 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.0 tt0 -63.76 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.565 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -69.42 -50.84 42.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.832 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -67.41 -58.16 5.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.056 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -83.58 -67.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.766 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 125.18 44.47 0.27 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.814 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 39.1 mt -119.17 124.72 28.03 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 31.9 Cg_exo -59.33 131.73 42.55 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.618 2.212 . . . . 0.0 111.839 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 75.0 Cg_exo -51.72 -24.73 18.62 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 123.527 2.818 . . . . 0.0 114.197 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -72.38 -21.33 61.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.251 0.548 . . . . 0.0 111.037 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -104.21 0.19 29.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.683 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -91.36 128.64 37.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.074 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.55 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 64.7 mtt180 -127.9 121.52 30.2 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 177.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.426 HD12 HG23 ' A' ' 23' ' ' ILE . 37.6 mt -103.64 106.61 17.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.296 0.569 . . . . 0.0 110.896 -177.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.419 HD11 HD13 ' B' ' 584' ' ' LEU . 1.7 mp -102.79 124.79 57.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.012 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -125.71 110.79 14.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.203 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.66 25.19 14.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.056 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.19 2.97 63.75 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.878 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -115.94 132.56 56.61 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -82.67 126.32 32.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.774 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.83 117.82 21.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.739 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.538 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 37.7 mt-10 -71.51 141.82 50.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.674 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.85 -39.42 62.55 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.6 12.58 39.87 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.776 -0.726 . . . . 0.0 114.739 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.538 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.9 mmt180 -108.21 168.59 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.666 0.733 . . . . 0.0 110.453 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.8 p -110.54 171.47 7.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.31 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.1 mt -76.01 0.14 19.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 111.61 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 p -107.12 -12.91 15.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.458 0.646 . . . . 0.0 109.816 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -69.45 -41.58 76.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.197 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.431 ' O ' ' HB3' ' A' ' 60' ' ' ASN . 94.5 m-85 -90.46 19.84 4.98 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.444 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.431 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 29.3 t30 69.77 106.75 0.06 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.165 0.507 . . . . 0.0 110.964 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.6 tp -62.2 134.39 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.417 0.627 . . . . 0.0 111.36 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -130.24 136.01 48.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.561 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 141.7 57.27 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 57.4 54.76 6.3 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.21 124.58 23.85 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.336 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 m -110.11 94.29 4.94 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 121.562 0.696 . . . . 0.0 110.588 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -81.38 130.14 34.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.024 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -107.67 114.77 28.98 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.892 0.377 . . . . 0.0 110.897 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.55 ' HA ' ' O ' ' A' ' 42' ' ' ARG . 14.0 tp -88.6 93.96 9.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.936 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 t -78.99 139.64 18.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.004 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.7 mt -123.77 118.41 27.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.957 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.516 ' HA ' ' OE1' ' B' ' 581' ' ' GLU . 21.9 ttt180 -93.61 125.14 38.06 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.7 mt -82.09 155.26 25.16 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.331 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -101.67 -34.44 9.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.628 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.18 -176.86 15.2 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.677 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.836 -0.98 . . . . 0.0 111.915 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 4.6 m -125.36 83.68 60.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -90.27 171.8 3.67 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.827 2.352 . . . . 0.0 112.906 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -103.07 137.53 41.13 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -77.94 -2.89 39.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.731 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -75.23 -26.38 58.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.949 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -70.25 132.19 88.16 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.838 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 543' ' ' PRO . . . . . 0.466 ' O ' ' HG3' ' B' ' 546' ' ' ARG . 37.2 Cg_endo -65.72 -16.59 53.92 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.985 2.456 . . . . 0.0 112.599 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.49 -28.43 46.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.137 0.494 . . . . 0.0 109.964 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.09 -48.06 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.232 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 546' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' B' ' 543' ' ' PRO . 50.0 mtm180 58.48 33.09 22.82 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.824 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 71.74 -7.34 1.27 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.324 0.65 . . . . 0.0 112.168 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 67.97 -67.26 0.19 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -94.55 -34.2 12.75 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -175.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -66.1 -31.06 71.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.175 0.512 . . . . 0.0 110.548 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 551' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 12.1 tp -65.89 -20.42 66.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.637 178.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -79.34 -18.93 51.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.334 0.588 . . . . 0.0 109.938 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -90.02 -35.3 15.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.669 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 554' ' ' LEU . . . . . 0.759 HD13 ' HB3' ' B' ' 565' ' ' ASN . 4.1 mt -72.57 -40.77 66.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.507 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 15.7 m -70.91 -21.08 62.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.783 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -78.47 -14.05 59.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.257 0.551 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 17.8 mmt -106.46 5.61 29.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.562 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 77.35 99.3 0.18 Allowed Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.826 -0.624 . . . . 0.0 113.048 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 559' ' ' PHE . . . . . 0.497 ' HB3' HD21 ' B' ' 565' ' ' ASN . 5.7 m-85 -149.03 110.25 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 31.1 mt -71.92 -23.01 61.4 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -82.5 164.47 20.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -128.36 -50.86 1.29 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.683 0.278 . . . . 0.0 111.169 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -66.88 -48.6 68.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.719 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 564' ' ' ALA . . . . . 0.603 ' HB1' HD11 ' B' ' 583' ' ' LEU . . . -54.24 -35.17 62.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.107 0.48 . . . . 0.0 110.798 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 565' ' ' ASN . . . . . 0.759 ' HB3' HD13 ' B' ' 554' ' ' LEU . 2.5 m-20 -64.05 -40.55 96.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.454 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.442 ' O ' HG12 ' B' ' 570' ' ' ILE . 33.6 tp -67.01 -37.96 85.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.939 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -69.83 -45.12 68.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.185 0.517 . . . . 0.0 109.673 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 568' ' ' ALA . . . . . 0.489 ' HB1' ' HB1' ' B' ' 579' ' ' ALA . . . -57.25 -33.12 67.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.658 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.552 HD23 HD11 ' B' ' 554' ' ' LEU . 0.4 OUTLIER -75.91 -39.67 55.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.886 179.663 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.442 HG12 ' O ' ' B' ' 566' ' ' LEU . 37.3 mm -67.52 -48.25 77.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.856 0.36 . . . . 0.0 110.319 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -55.84 -40.57 73.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.919 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 19.1 p -78.4 -45.1 23.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.058 0.456 . . . . 0.0 110.435 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 102.66 6.04 47.35 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.134 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 140.62 -24.72 2.61 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.555 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -71.14 89.09 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 576' ' ' ILE . . . . . 0.43 ' O ' HG13 ' B' ' 580' ' ' ILE . 53.2 mt -60.27 -43.34 93.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.363 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -57.57 -46.29 84.14 Favored 'General case' 0 C--O 1.231 0.126 0 O-C-N 122.446 -0.159 . . . . 0.0 111.225 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 578' ' ' ALA . . . . . 0.495 ' HA ' ' OE2' ' B' ' 581' ' ' GLU . . . -62.64 -32.66 73.73 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.111 0.482 . . . . 0.0 110.307 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 579' ' ' ALA . . . . . 0.489 ' HB1' ' HB1' ' B' ' 568' ' ' ALA . . . -66.43 -52.12 49.71 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.768 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 580' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 576' ' ' ILE . 76.3 mt -52.32 -44.56 42.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.828 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 581' ' ' GLU . . . . . 0.516 ' OE1' ' HA ' ' A' ' 72' ' ' ARG . 38.4 mt-10 -57.08 -55.24 37.28 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.382 0.61 . . . . 0.0 110.579 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -68.97 -45.69 70.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.119 -0.946 . . . . 0.0 113.028 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 583' ' ' LEU . . . . . 0.603 HD11 ' HB1' ' B' ' 564' ' ' ALA . 23.7 tp -56.31 -38.49 71.34 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -176.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 584' ' ' LEU . . . . . 0.419 HD13 HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -69.68 -24.58 63.62 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.065 -179.594 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -93.16 -61.35 1.14 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.444 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 66.5 m -152.51 140.08 19.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.783 0.325 . . . . 0.0 110.372 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.486 -0.768 . . . . 0.0 110.695 -179.634 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.83 0.348 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -99.56 154.98 17.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.493 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.6 pt -149.46 169.79 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -130.53 138.51 50.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.568 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.443 ' HB ' ' HB ' ' A' ' 13' ' ' ILE . 95.6 t -121.29 117.42 52.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.973 0.416 . . . . 0.0 110.436 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.641 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 22.2 mmtp -107.21 119.48 39.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.547 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.5 p -86.25 -175.4 5.49 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.649 0.262 . . . . 0.0 111.094 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.47 HD11 HG13 ' A' ' 70' ' ' VAL . 71.5 mt -64.6 -29.91 70.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.08 0.467 . . . . 0.0 110.789 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -0.43 49.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.106 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.36 20.82 68.51 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.471 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.641 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 8.4 tttt -73.69 151.76 40.64 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.66 99.63 7.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.938 0.399 . . . . 0.0 111.215 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.443 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 12.6 mt -98.46 112.56 30.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.691 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -82.68 128.92 34.81 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.029 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.8 mt -137.57 167.71 21.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.076 0.465 . . . . 0.0 111.269 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -122.73 138.4 54.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.03 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -161.92 -173.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -178.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -143.26 154.26 60.64 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.66 -26.53 38.11 Favored 'Trans proline' 0 N--CA 1.476 0.463 0 C-N-CA 123.038 2.492 . . . . 0.0 113.82 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -85.29 -6.36 59.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.83 150.44 36.1 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.876 0.369 . . . . 0.0 110.85 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 4.2 p -89.75 158.95 17.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.247 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.573 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 47.1 mm -62.04 -38.62 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -59.7 -42.49 93.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.995 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -58.16 -35.19 71.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.071 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.475 ' O ' HG13 ' A' ' 30' ' ' ILE . 34.7 t -70.63 -45.39 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.467 178.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 7.9 mmmm -48.91 -46.73 43.32 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.13 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.5 99.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.079 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -58.35 -49.46 77.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.562 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 26' ' ' VAL . 15.1 mt -61.37 -36.09 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.353 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 58.9 tt0 -63.89 -37.99 89.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.131 0.491 . . . . 0.0 110.327 178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.95 -45.82 69.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.266 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -68.01 -64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.349 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -80.68 -55.67 4.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.855 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 113.07 40.68 1.04 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.106 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.0 mt -116.62 123.54 30.38 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.46 137.59 72.7 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.553 2.169 . . . . 0.0 111.915 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.88 -24.71 32.43 Favored 'Trans proline' 0 N--CA 1.474 0.332 0 C-N-CA 123.176 2.584 . . . . 0.0 113.282 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -18.22 61.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.725 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -105.8 1.77 27.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.048 0.451 . . . . 0.0 110.737 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.493 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 39.7 mt-30 -105.56 136.57 44.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.197 -178.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -132.84 135.71 45.8 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -110.71 123.52 50.19 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.61 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -116.36 128.73 73.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.011 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -126.5 104.08 7.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.181 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.31 33.3 16.6 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.311 0.577 . . . . 0.0 110.729 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.07 -16.16 59.29 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.451 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -88.68 117.84 27.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.651 0.262 . . . . 0.0 110.389 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -72.77 127.56 32.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.221 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.8 mt -87.57 116.71 25.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.09 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -78.11 145.41 35.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.352 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.21 -32.44 68.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.973 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.35 35.24 3.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.713 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -132.99 162.16 32.43 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 80.4 p -111.3 172.98 6.56 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.31 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.0 mt -73.92 -3.63 30.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.948 0.404 . . . . 0.0 110.526 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.9 m -97.05 -17.14 20.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.192 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.08 -58.02 5.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.988 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -85.53 3.88 38.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.434 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 t30 59.67 74.57 0.44 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.861 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.4 mp -95.15 124.64 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.039 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -86.55 176.63 7.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.871 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.38 142.11 39.46 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.198 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.54 40.99 13.01 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.796 0.808 . . . . 0.0 110.391 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.18 155.57 26.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.11 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 m -103.62 89.96 3.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.311 0.577 . . . . 0.0 110.55 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.11 133.8 35.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.841 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.581 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 9.5 m80 -102.97 114.14 28.18 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.769 0.318 . . . . 0.0 111.246 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.5 tp -90.77 125.25 35.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.038 0.446 . . . . 0.0 110.114 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.47 HG13 HD11 ' A' ' 8' ' ' LEU . 57.7 t -108.03 134.93 48.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.224 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.7 mt -115.81 130.83 57.0 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -100.11 113.29 25.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.831 0.348 . . . . 0.0 110.717 -179.382 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.6 mt -67.95 116.21 8.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.51 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -87.21 -18.25 30.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.603 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -124.59 143.79 14.88 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.701 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.572 -1.127 . . . . 0.0 111.371 -179.906 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.996 -0.441 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.88 92.06 45.52 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-O 120.865 0.364 . . . . 0.0 110.523 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -90.61 -161.83 0.11 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.958 2.439 . . . . 0.0 111.778 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -125.0 146.63 49.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.839 0.352 . . . . 0.0 110.103 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -83.99 -14.3 51.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.041 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -69.17 -27.28 65.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.727 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -74.99 121.78 86.03 Favored Pre-proline 0 C--O 1.236 0.393 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.965 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.35 -0.92 6.41 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.969 2.446 . . . . 0.0 113.452 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -82.82 -21.28 34.53 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 6.7 t -101.9 -50.48 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.931 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 546' ' ' ARG . . . . . 0.508 ' O ' ' HB2' ' B' ' 547' ' ' PHE . 5.2 mtm180 57.18 49.73 12.99 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.964 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 547' ' ' PHE . . . . . 0.508 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 14.5 m-85 74.93 -37.87 0.36 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.158 0.583 . . . . 0.0 111.872 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 73.58 -40.63 0.47 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.767 0.827 . . . . 0.0 112.455 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -96.26 -46.97 6.22 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.877 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -65.85 -32.21 73.6 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 551' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 14.4 tp -66.54 -19.11 65.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.864 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -80.89 -15.01 57.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.184 0.516 . . . . 0.0 110.006 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.42 -35.6 9.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.382 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 52.7 mt -67.82 -43.4 79.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.076 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 5.1 m -76.96 -16.88 59.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.549 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -78.74 -24.27 44.93 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.412 0.625 . . . . 0.0 109.97 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 10.3 mmt -85.42 12.08 9.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.89 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 77.59 78.08 0.79 Allowed Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.805 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 559' ' ' PHE . . . . . 0.413 ' CE1' HD23 ' B' ' 583' ' ' LEU . 29.2 m-85 -147.43 138.72 23.78 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 36.9 mt -106.73 -15.66 14.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.21 152.05 42.49 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.441 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -114.95 -59.1 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.095 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -65.0 -49.23 71.07 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.591 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.18 81.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.348 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -63.87 -37.5 87.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.081 0.467 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' B' ' 546' ' ' ARG . 53.7 tp -63.42 -39.8 95.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.426 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -76.86 -37.69 55.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.926 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.95 75.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.994 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' B' ' 569' ' ' LEU . 0.7 OUTLIER -69.76 -32.97 71.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.146 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 35.6 mm -73.44 -45.28 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.456 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -55.69 -42.11 74.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.149 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 68.9 p -81.69 -30.17 32.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.802 0.334 . . . . 0.0 111.219 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 97.78 10.93 51.88 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.319 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 128.29 -16.15 6.03 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.72 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -72.61 100.52 2.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.92 0.39 . . . . 0.0 110.496 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.97 -48.67 88.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.093 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.74 -48.4 75.29 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -63.26 -34.24 77.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -62.15 -51.07 69.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.769 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 84.3 mt -54.24 -45.6 67.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.442 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 581' ' ' GLU . . . . . 0.403 ' OE1' ' HD3' ' A' ' 72' ' ' ARG . 22.1 mt-10 -66.85 -34.63 78.22 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 121.137 0.494 . . . . 0.0 110.624 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -72.89 -40.07 65.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.241 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 583' ' ' LEU . . . . . 0.413 HD23 ' CE1' ' B' ' 559' ' ' PHE . 15.6 tp -56.77 -53.39 58.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.596 -178.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 584' ' ' LEU . . . . . 0.4 HD21 HG11 ' A' ' 70' ' ' VAL . 1.3 pp -93.0 21.06 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.223 0.535 . . . . 0.0 110.806 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -109.22 -65.96 0.57 Allowed Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.813 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 28.9 m -158.55 140.26 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.584 179.833 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -104.56 155.89 18.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.725 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 pt -147.25 174.88 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -121.82 135.41 54.91 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.3 t -123.44 112.72 34.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 4.1 tttp -112.2 127.85 56.07 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.461 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 p -83.93 174.1 10.64 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.051 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.554 HD11 HG13 ' A' ' 70' ' ' VAL . 26.1 mt -66.53 -21.82 66.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.182 0.515 . . . . 0.0 110.196 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.35 -19.88 57.76 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.791 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.18 11.23 39.95 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.935 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 86.6 tttt -76.22 147.32 38.46 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.9 m -117.25 109.02 16.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.162 0.506 . . . . 0.0 110.89 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 mt -105.01 122.89 58.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.618 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.448 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -87.22 123.91 32.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.965 178.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mt -133.25 153.77 51.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.94 0.4 . . . . 0.0 111.441 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -108.93 137.1 47.39 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 m -148.08 -170.54 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' HD12 ' A' ' 56' ' ' LEU . 5.3 mm-40 -147.18 158.53 44.33 Favored Pre-proline 0 C--N 1.32 -0.713 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.28 -37.65 81.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.213 1.942 . . . . 0.0 112.558 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.84 6.46 24.58 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.5 t0 -75.46 139.87 42.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.925 0.393 . . . . 0.0 110.233 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -82.83 147.53 28.29 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.763 -179.758 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.6 mm -56.98 -46.18 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.078 0.466 . . . . 0.0 110.51 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -64.31 -33.13 75.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.456 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -63.84 -38.5 91.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.025 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 22' ' ' THR . 47.2 t -64.55 -44.22 96.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -54.8 -38.22 67.06 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.282 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.73 98.41 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.306 0.574 . . . . 0.0 109.67 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -61.11 -44.84 96.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.218 178.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.4 mt -61.24 -40.57 86.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.228 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -61.41 -33.17 73.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.307 0.575 . . . . 0.0 110.222 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.95 -45.83 55.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.403 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' HE3' ' O ' ' A' ' 14' ' ' THR . 54.6 mttm -68.71 -56.47 8.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.295 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -88.49 -61.63 1.67 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.74 -12.06 5.14 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.454 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 11.7 mt -70.01 125.42 91.98 Favored Pre-proline 0 C--N 1.323 -0.58 0 O-C-N 122.939 -0.153 . . . . 0.0 110.723 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 27.5 Cg_exo -62.71 143.21 91.84 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.686 2.257 . . . . 0.0 112.076 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 54.5 Cg_exo -54.02 -24.31 31.94 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.248 2.632 . . . . 0.0 113.856 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.52 -21.55 59.49 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.171 0.51 . . . . 0.0 110.955 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -100.0 1.79 42.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.783 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -101.48 143.43 31.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.29 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -134.23 131.27 38.31 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 176.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 43' ' ' LEU . 21.5 mt -108.43 118.7 37.47 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.249 0.547 . . . . 0.0 112.103 -178.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.54 126.93 68.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.862 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.454 ' HB3' HD21 ' A' ' 50' ' ' LEU . 77.8 t80 -135.98 128.89 31.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.882 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.18 20.47 11.73 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.538 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' B' ' 558' ' ' GLY . . . 93.89 -0.82 67.46 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.751 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -120.9 152.18 38.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.114 0.457 . . . . 0.0 111.359 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -82.32 141.84 32.54 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.396 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.454 HD21 ' HB3' ' A' ' 45' ' ' PHE . 35.9 mt -98.25 146.8 25.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -90.57 141.24 28.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.151 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.4 -41.32 98.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.028 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.79 47.78 3.87 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.703 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.1 mmt-85 -141.57 163.45 32.9 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.5 p -108.82 163.95 12.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.726 0.298 . . . . 0.0 110.564 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.502 HD22 HG13 ' A' ' 61' ' ' ILE . 85.4 mt -68.81 -14.83 63.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.214 0.53 . . . . 0.0 109.966 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -24.27 39.1 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.868 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -68.96 -47.13 66.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.813 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -88.72 3.21 51.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 57.95 62.01 2.2 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.072 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.502 HG13 HD22 ' A' ' 56' ' ' LEU . 48.4 mm -79.57 122.93 35.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -96.81 174.16 6.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.985 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -63.32 132.42 51.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.026 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 63.29 41.61 7.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.134 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.8 m -78.24 146.91 34.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -93.94 101.32 13.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.793 0.33 . . . . 0.0 111.572 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -96.76 131.72 43.18 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.544 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 33.9 m80 -102.95 117.48 34.7 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.215 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.2 tp -89.16 118.04 28.58 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.093 0.473 . . . . 0.0 109.938 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.554 HG13 HD11 ' A' ' 8' ' ' LEU . 81.8 t -102.06 136.22 35.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.273 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.2 mt -123.16 114.87 20.88 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.545 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -92.03 129.68 37.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.191 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.2 mt -97.37 134.25 40.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.46 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -86.67 -23.03 25.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.387 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.28 178.41 25.44 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.818 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.793 -1.004 . . . . 0.0 111.544 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 536' ' ' GLY . . . . . 0.413 ' O ' ' HD3' ' B' ' 538' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.914 -0.474 . . . . 0.0 111.914 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.73 91.78 13.11 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 538' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' B' ' 536' ' ' GLY . 53.1 Cg_endo -92.47 161.43 2.97 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 122.921 2.414 . . . . 0.0 112.923 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -84.62 118.47 24.39 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -62.48 -23.53 66.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.324 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -64.64 -23.84 67.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.879 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.65 126.24 90.41 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.3 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.96 -16.04 51.6 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.828 2.352 . . . . 0.0 112.413 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.99 -30.35 44.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.152 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 63.8 t -79.55 -49.25 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.335 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 546' ' ' ARG . . . . . 0.548 ' O ' ' HB2' ' B' ' 551' ' ' LEU . 43.5 mtm180 60.48 36.51 20.1 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.469 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 75.24 -21.62 0.29 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.527 0.731 . . . . 0.0 110.972 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 548' ' ' GLN . . . . . 0.44 ' H ' ' C ' ' B' ' 546' ' ' ARG . 48.9 tt0 71.25 -56.18 0.64 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.913 0.885 . . . . 0.0 113.119 178.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -86.22 -56.52 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 550' ' ' GLN . . . . . 0.465 ' HA ' ' OE1' ' B' ' 550' ' ' GLN . 11.1 mm-40 -60.7 -22.83 64.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.786 0.327 . . . . 0.0 111.819 -178.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 551' ' ' LEU . . . . . 0.548 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 34.2 tp -63.61 -24.63 67.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.592 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -80.32 -12.03 59.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.015 0.436 . . . . 0.0 110.374 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -98.59 -41.25 7.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.933 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 554' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' B' ' 565' ' ' ASN . 9.6 mt -66.27 -43.12 87.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.821 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 1.7 m -78.12 -17.89 56.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.641 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -74.69 -17.37 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 111.489 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 10.1 mmt -92.22 11.04 27.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 558' ' ' GLY . . . . . 0.426 ' O ' ' HA2' ' A' ' 47' ' ' GLY . . . 74.4 84.84 0.3 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.557 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -144.04 156.34 44.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.603 0.239 . . . . 0.0 110.543 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 14.1 mt -110.5 -19.3 12.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.247 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 561' ' ' ASN . . . . . 0.423 ' HB3' ' OD1' ' B' ' 565' ' ' ASN . 6.7 t-20 -74.5 146.42 42.74 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.695 -178.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -121.5 -58.72 1.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.652 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -62.38 -53.7 51.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.474 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -56.19 -35.13 66.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.079 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 565' ' ' ASN . . . . . 0.474 ' HB3' HD13 ' B' ' 554' ' ' LEU . 5.4 m-20 -64.36 -43.79 93.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.019 0.438 . . . . 0.0 110.296 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 30.9 tp -64.7 -37.06 86.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.209 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -71.41 -42.67 68.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.842 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -56.26 -35.42 67.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.145 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.412 HD23 HD11 ' B' ' 554' ' ' LEU . 0.2 OUTLIER -72.47 -35.37 68.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.435 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 29.5 mm -73.57 -42.45 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -60.74 -30.63 70.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.523 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 6.5 p -89.62 -40.62 12.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.096 0.474 . . . . 0.0 110.831 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 99.48 7.77 53.54 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.389 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 136.17 -16.42 3.91 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.405 -0.902 . . . . 0.0 113.089 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -76.67 92.69 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.803 0.335 . . . . 0.0 110.623 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 25.1 mt -58.31 -49.52 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.833 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -58.47 -46.3 86.89 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -66.79 -31.66 72.44 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.719 0.295 . . . . 0.0 110.72 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -64.29 -55.24 22.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.748 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 77.8 mt -53.71 -42.21 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.185 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.52 -53.69 54.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.28 0.562 . . . . 0.0 110.064 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 582' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 582' ' ' ARG . 20.6 ttt180 -68.64 -35.18 76.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.091 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 30.4 tp -51.04 -41.54 59.91 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 584' ' ' LEU . . . . . 0.54 HD11 HG11 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -98.8 19.82 14.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.044 0.449 . . . . 0.0 111.07 -179.839 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -122.1 -59.0 0.21 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.408 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 13.9 m -153.63 159.62 42.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.865 0.364 . . . . 0.0 110.894 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 10.2 m . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.687 179.102 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.7 ptt? . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.925 0.393 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -91.6 151.82 20.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.312 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.6 pt -149.19 166.52 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.276 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -123.32 133.67 54.12 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 64.1 t -126.17 104.87 13.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.956 0.407 . . . . 0.0 110.12 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.641 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 13.0 tttp -101.66 121.14 41.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.957 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 71.7 p -74.98 168.76 19.33 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.696 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.451 HD22 HG13 ' A' ' 70' ' ' VAL . 15.3 tp -64.43 -24.61 67.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.099 0.476 . . . . 0.0 110.543 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 m -76.32 -22.09 55.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.254 0.55 . . . . 0.0 110.43 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.24 14.89 13.53 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.726 -0.75 . . . . 0.0 113.127 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.641 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 59.3 tttm -82.72 140.63 32.97 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -111.92 102.39 10.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.865 0.364 . . . . 0.0 110.589 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -98.21 121.58 48.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.079 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 m -92.84 125.55 37.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mp -139.06 175.06 9.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.037 0.446 . . . . 0.0 111.219 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -121.75 138.45 54.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.168 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.543 ' O ' ' HG2' ' A' ' 1' ' ' MET . 17.3 m -149.61 164.33 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 13.0 mm-40 -114.39 152.86 46.46 Favored Pre-proline 0 C--N 1.316 -0.891 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -58.43 -12.46 13.78 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.488 2.125 . . . . 0.0 112.64 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 m -104.55 12.5 33.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.343 . . . . 0.0 111.023 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.2 m-20 -78.75 158.51 28.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.01 0.433 . . . . 0.0 110.673 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.464 HG22 HG22 ' A' ' 55' ' ' THR . 7.2 p -108.38 162.62 13.94 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.77 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.6 mm -58.62 -42.92 86.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.061 0.458 . . . . 0.0 110.51 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.22 -40.73 96.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.916 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.451 ' HB2' ' OG1' ' A' ' 22' ' ' THR . 4.9 t30 -59.78 -40.06 86.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.1 t -66.93 -44.51 88.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -53.03 -39.8 63.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.621 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.72 93.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.864 0.364 . . . . 0.0 110.439 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 63.0 mttt -58.94 -48.12 82.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.093 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.6 mt -61.55 -40.68 87.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.589 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.56 -38.67 88.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.64 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.91 -45.82 80.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.233 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -66.57 -56.2 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.577 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -84.07 -77.7 0.25 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.796 0.332 . . . . 0.0 111.858 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.23 -12.37 1.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.795 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 mt -67.79 124.58 89.75 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.247 . . . . 0.0 110.616 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.06 139.75 92.12 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.851 2.367 . . . . 0.0 112.185 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -51.78 -26.62 24.33 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.314 2.676 . . . . 0.0 113.786 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -69.87 -23.95 63.34 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.121 0.486 . . . . 0.0 110.731 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -98.61 -0.93 42.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.233 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -93.99 142.5 27.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.072 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HD3' HD11 ' B' ' 584' ' ' LEU . 70.8 mtt180 -138.48 127.81 24.45 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.56 113.8 27.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.32 0.581 . . . . 0.0 111.418 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.484 HD11 HD13 ' B' ' 584' ' ' LEU . 3.5 mp -114.74 131.17 67.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.652 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -126.04 107.94 10.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.906 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.36 29.6 19.14 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.455 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.27 -19.83 52.32 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.267 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -82.03 125.22 30.56 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -77.39 123.36 26.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.579 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.4 mt -88.38 107.81 19.03 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.99 141.93 56.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.815 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -37.65 71.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.926 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.71 41.86 3.07 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.45 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.0 mmt-85 -133.89 167.29 20.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.041 0.448 . . . . 0.0 110.403 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.464 HG22 HG22 ' A' ' 22' ' ' THR . 81.7 p -112.26 171.95 7.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.344 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.6 mt -75.32 -11.82 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.178 0.514 . . . . 0.0 110.239 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -17.05 32.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.799 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.41 -52.44 39.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -93.44 7.32 45.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 57.41 64.64 1.54 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.1 mm -87.03 124.69 40.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.94 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -101.58 -177.85 3.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.898 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -79.83 156.3 27.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.939 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 63.48 26.62 14.89 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.439 0.462 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -85.33 154.53 21.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.5 m -106.99 105.69 15.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.136 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 3.7 mp -98.76 139.06 35.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.155 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.562 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 38.4 m80 -105.47 115.83 30.92 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.747 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 7' ' ' THR . 13.1 tp -98.42 109.66 22.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.996 0.427 . . . . 0.0 110.32 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.451 HG13 HD22 ' A' ' 8' ' ' LEU . 42.6 t -87.59 137.6 20.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.9 mt -107.35 102.3 11.6 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.87 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -83.65 101.01 11.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.126 0.489 . . . . 0.0 110.021 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.4 mt -76.57 129.68 36.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.542 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -83.02 -18.15 40.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.491 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.85 -163.96 38.48 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.011 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.973 0 CA-C-O 118.884 -0.953 . . . . 0.0 111.425 -179.874 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.619 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 1.7 m -122.04 82.93 44.1 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.757 0.313 . . . . 0.0 110.641 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -89.61 168.33 4.91 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 539' ' ' GLU . . . . . 0.489 ' HG3' ' HB2' ' B' ' 542' ' ' ASN . 3.1 pt-20 -92.53 127.89 38.19 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.012 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -72.48 -23.2 61.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.304 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -66.76 -29.01 68.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.12 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 542' ' ' ASN . . . . . 0.489 ' HB2' ' HG3' ' B' ' 539' ' ' GLU . 8.2 t-20 -63.32 123.72 81.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.708 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -61.46 -14.89 37.61 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.0 2.467 . . . . 0.0 113.036 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 544' ' ' GLU . . . . . 0.442 ' HG2' ' CG ' ' B' ' 542' ' ' ASN . 9.8 pt-20 -73.7 -31.51 63.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.986 0.422 . . . . 0.0 109.996 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.406 HG23 ' HG3' ' B' ' 544' ' ' GLU . 46.0 t -87.97 -51.65 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.335 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 546' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' B' ' 547' ' ' PHE . 35.4 mtm180 58.72 37.25 25.14 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.709 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 547' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 2.6 m-85 74.99 -24.23 0.22 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.526 0.73 . . . . 0.0 111.815 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 548' ' ' GLN . . . . . 0.42 ' H ' ' C ' ' B' ' 546' ' ' ARG . 14.6 mt-30 68.45 -51.24 0.56 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.99 0.916 . . . . 0.0 113.171 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -89.55 -43.64 10.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.988 -0.445 . . . . 0.0 110.886 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -63.69 -32.31 73.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.0 0.428 . . . . 0.0 110.434 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 551' ' ' LEU . . . . . 0.625 ' HA ' HD12 ' B' ' 554' ' ' LEU . 14.7 tp -71.52 -19.07 62.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.86 -33.16 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -81.1 -38.49 27.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.859 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 554' ' ' LEU . . . . . 0.751 HD13 ' HB3' ' B' ' 565' ' ' ASN . 20.6 mt -61.75 -41.13 97.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.133 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 9.5 m -77.35 -23.23 50.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.934 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -79.66 -9.7 59.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.144 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 5.9 mmt -105.42 11.63 32.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.875 0.369 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 74.62 75.69 0.78 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.124 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.68 119.35 8.02 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 29.1 mt -84.62 -10.85 56.97 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 561' ' ' ASN . . . . . 0.606 ' HB3' ' OD1' ' B' ' 565' ' ' ASN . 4.6 t-20 -74.8 148.81 40.01 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.62 -62.78 1.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.79 0.328 . . . . 0.0 111.697 -178.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.25 -53.22 59.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.638 -178.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -53.76 -37.26 63.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.423 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 565' ' ' ASN . . . . . 0.751 ' HB3' HD13 ' B' ' 554' ' ' LEU . 3.2 m-20 -63.47 -36.49 83.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.855 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.48 ' O ' HG12 ' B' ' 570' ' ' ILE . 49.2 tp -64.55 -34.64 78.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.338 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -74.23 -45.83 45.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.854 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.89 -35.34 70.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.906 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.99 -32.02 68.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.718 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.48 HG12 ' O ' ' B' ' 566' ' ' LEU . 40.5 mm -75.67 -40.86 40.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.095 0.474 . . . . 0.0 109.905 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.2 71.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.613 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 8.6 p -93.37 -38.19 11.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.39 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 88.83 25.88 28.44 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.656 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 122.02 -16.6 8.75 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.566 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.18 85.14 3.01 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.67 -47.15 92.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.633 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -59.54 -48.86 80.02 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.09 70.97 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.431 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -67.21 -58.22 5.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.436 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 580' ' ' ILE . . . . . 0.424 HD12 HD11 ' A' ' 8' ' ' LEU . 89.1 mt -56.5 -39.22 60.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.83 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -53.16 -58.66 6.28 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.227 0.537 . . . . 0.0 110.436 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -70.88 -35.94 72.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.081 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.23 -43.64 92.36 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 584' ' ' LEU . . . . . 0.484 HD13 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -69.02 -23.18 64.04 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.655 -179.533 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -80.1 -50.82 5.31 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.927 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 69.3 m -154.75 -101.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.832 -1.08 . . . . 0.0 108.912 179.653 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -94.83 149.3 21.39 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.509 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 pt -151.31 159.36 4.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.015 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -126.72 137.42 53.25 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.524 HG21 HD12 ' A' ' 15' ' ' LEU . 74.6 t -120.21 119.29 59.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.635 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 88.4 mttt -116.15 124.36 50.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.763 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 71.2 p -80.55 178.42 8.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.221 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.609 HD13 HG13 ' A' ' 70' ' ' VAL . 43.4 tp -61.36 -38.66 87.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.077 0.465 . . . . 0.0 110.415 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 m -70.22 -24.62 63.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.562 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.95 20.99 8.38 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.611 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.635 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 84.0 tttt -77.76 155.49 31.14 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.49 125.89 52.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.409 . . . . 0.0 111.115 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.4 mt -131.35 125.25 56.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.712 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.28 137.49 32.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.524 HD12 HG21 ' A' ' 5' ' ' VAL . 39.6 mt -141.29 174.79 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.05 0.452 . . . . 0.0 111.456 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -132.12 133.53 44.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -161.37 158.02 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.285 -178.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -101.12 153.68 37.62 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.26 -18.39 58.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.091 1.861 . . . . 0.0 111.598 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.38 -2.29 58.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.847 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.68 153.79 38.74 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.942 0.401 . . . . 0.0 110.635 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -92.03 159.71 15.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.685 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.406 HG23 HD12 ' A' ' 43' ' ' LEU . 24.0 mm -61.5 -40.25 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.545 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.13 -34.79 78.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.997 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.79 -42.13 96.95 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.857 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.73 -46.66 93.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.309 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -53.87 -36.5 62.71 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.425 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.27 87.34 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.143 0.497 . . . . 0.0 110.258 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -59.87 -44.81 93.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.926 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.408 HD13 HD22 ' A' ' 69' ' ' LEU . 82.2 mt -61.45 -41.43 89.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.487 178.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.61 -37.63 84.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.196 0.522 . . . . 0.0 110.231 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.34 -44.53 64.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.947 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -69.69 -64.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.189 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -78.97 -63.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.967 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.96 19.22 3.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.977 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 mt -94.21 128.17 41.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 34.5 Cg_exo -57.01 136.79 78.78 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.633 2.222 . . . . 0.0 111.938 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.6 Cg_exo -54.5 -26.51 45.42 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.136 2.557 . . . . 0.0 113.191 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.47 -20.73 62.04 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.877 0.37 . . . . 0.0 110.773 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -99.48 -3.09 34.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.088 0.47 . . . . 0.0 110.103 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -94.26 137.53 33.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.782 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -135.6 130.73 34.89 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.406 HD12 HG23 ' A' ' 23' ' ' ILE . 6.5 mt -106.4 112.96 26.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.338 0.59 . . . . 0.0 111.511 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.46 HD11 HD13 ' B' ' 584' ' ' LEU . 1.8 mp -108.0 123.87 63.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.644 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -127.67 111.61 13.91 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.287 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.74 35.74 16.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.878 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.46 -24.51 9.82 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.626 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -83.87 146.14 28.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.792 0.33 . . . . 0.0 110.712 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -94.38 134.11 37.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.859 0.361 . . . . 0.0 110.197 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.6 mt -89.14 126.44 35.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.66 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -73.32 137.74 44.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.747 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.36 -39.02 69.56 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.347 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.3 23.36 12.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.6 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -116.57 168.86 9.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.965 0.383 . . . . 0.0 110.438 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.6 p -109.4 166.89 10.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.11 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.3 mt -71.27 -9.48 58.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.027 0.442 . . . . 0.0 110.928 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -17.97 23.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.079 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.13 -40.52 86.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.469 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -101.28 5.63 42.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.377 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 t30 65.51 95.91 0.05 Allowed 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.576 0.548 . . . . 0.0 110.893 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.0 tp -93.65 123.73 45.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.143 0.496 . . . . 0.0 110.336 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.3 pm0 -97.97 155.85 16.9 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -71.79 143.68 49.44 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.367 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 64.23 38.33 8.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.818 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 p -88.26 163.11 16.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.942 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.5 m -111.72 98.65 7.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.211 0.529 . . . . 0.0 111.091 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.4 mt -80.42 122.9 27.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.234 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.467 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 72.3 m80 -100.38 110.87 23.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.903 0.382 . . . . 0.0 110.652 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 7' ' ' THR . 12.5 tp -96.48 103.21 15.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.053 0.454 . . . . 0.0 110.456 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.609 HG13 HD13 ' A' ' 8' ' ' LEU . 97.1 t -89.0 144.38 9.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.4 mt -114.43 138.81 50.1 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.29 117.52 30.43 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.394 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.6 mt -89.09 145.99 25.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.502 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -102.55 -40.07 6.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.324 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.82 -147.78 21.21 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.535 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.153 0 CA-C-O 118.668 -1.073 . . . . 0.0 111.246 -179.483 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.77 83.33 35.94 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-O 120.785 0.326 . . . . 0.0 110.643 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -86.08 148.94 9.35 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.674 2.25 . . . . 0.0 112.429 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 539' ' ' GLU . . . . . 0.417 ' HG3' ' HB2' ' B' ' 542' ' ' ASN . 3.4 pt-20 -71.71 134.8 46.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.861 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 540' ' ' PHE . . . . . 0.424 ' CD1' ' HA ' ' B' ' 547' ' ' PHE . 42.1 m-85 -82.56 -10.46 58.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.934 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -74.85 -25.15 58.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.449 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 542' ' ' ASN . . . . . 0.51 ' OD1' ' HD2' ' B' ' 543' ' ' PRO . 5.0 t-20 -64.35 126.51 90.63 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.931 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 543' ' ' PRO . . . . . 0.51 ' HD2' ' OD1' ' B' ' 542' ' ' ASN . 31.0 Cg_endo -64.14 -14.29 42.77 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.954 2.436 . . . . 0.0 113.081 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -85.43 -2.73 58.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.444 . . . . 0.0 110.379 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 58.7 t -115.77 -58.95 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.058 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 546' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' B' ' 551' ' ' LEU . 0.6 OUTLIER 57.01 49.48 13.79 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.742 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 547' ' ' PHE . . . . . 0.424 ' HA ' ' CD1' ' B' ' 540' ' ' PHE . 0.2 OUTLIER 74.87 -33.07 0.23 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.369 -179.473 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 548' ' ' GLN . . . . . 0.428 ' H ' ' C ' ' B' ' 546' ' ' ARG . 4.6 tt0 71.1 -45.69 0.62 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.686 0.794 . . . . 0.0 112.752 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -89.41 -51.03 5.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.687 0.28 . . . . 0.0 111.09 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -69.31 -24.17 63.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.089 0.471 . . . . 0.0 110.538 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 551' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 16.5 tp -61.49 -26.33 67.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.922 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -81.97 -6.43 59.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.788 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -97.53 -41.37 8.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.493 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.71 -42.92 32.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.386 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 5.9 m -69.14 -22.61 63.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.923 0.392 . . . . 0.0 110.564 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -67.42 -15.97 63.97 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 121.351 0.596 . . . . 0.0 110.684 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 17.3 mmt -88.29 14.72 8.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.34 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 89.44 -1.83 82.38 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.796 -0.638 . . . . 0.0 113.451 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -61.55 124.87 21.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.309 0.576 . . . . 0.0 111.475 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 21.0 mt -91.09 -9.31 46.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.82 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -85.95 164.61 17.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.582 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -133.72 -50.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.77 0.319 . . . . 0.0 110.787 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -61.09 -56.62 18.77 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.282 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.17 66.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.071 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -61.68 -40.51 95.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.349 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.588 ' O ' HG12 ' B' ' 570' ' ' ILE . 55.0 tp -67.34 -36.11 80.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.698 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -70.65 -43.94 68.15 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 568' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' B' ' 579' ' ' ALA . . . -58.24 -33.6 69.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.34 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.02 -36.09 64.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.613 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.588 HG12 ' O ' ' B' ' 566' ' ' LEU . 49.3 mm -74.34 -43.84 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.139 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -55.42 -44.19 76.02 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.941 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 8.3 p -77.36 -61.07 2.11 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.262 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 108.79 -7.61 33.65 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.724 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 174.01 -38.35 0.13 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.96 -1.114 . . . . 0.0 113.254 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -76.89 87.32 3.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.129 0.49 . . . . 0.0 110.561 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 576' ' ' ILE . . . . . 0.4 ' O ' HG13 ' B' ' 580' ' ' ILE . 23.3 mt -62.03 -36.08 72.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.96 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 577' ' ' ASN . . . . . 0.415 ' CG ' ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -61.13 -43.61 98.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.918 0.389 . . . . 0.0 110.634 179.424 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -66.51 -33.74 76.37 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.116 0.484 . . . . 0.0 109.944 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 579' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' B' ' 568' ' ' ALA . . . -61.72 -55.24 32.41 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.576 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 580' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 576' ' ' ILE . 73.8 mt -51.7 -40.12 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.545 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -56.37 -57.15 13.51 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.363 0.601 . . . . 0.0 110.794 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -68.99 -40.36 78.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.766 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 30.7 tp -60.46 -41.19 93.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.977 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 584' ' ' LEU . . . . . 0.46 HD13 HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -70.47 -31.43 68.57 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.63 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -64.37 -72.81 0.64 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.514 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 74.5 m -145.01 -87.47 0.11 Allowed 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.659 -0.318 . . . . 0.0 110.91 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.478 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptt? . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 120.866 0.365 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -110.75 156.6 20.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.431 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -147.92 173.34 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.113 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -117.53 136.62 53.12 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 13' ' ' ILE . 62.8 t -130.68 123.75 55.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.59 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 77.6 mttt -117.9 142.65 47.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -90.53 -165.17 1.29 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.021 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mt -66.74 -30.29 70.49 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.309 0.576 . . . . 0.0 110.266 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.14 -36.85 20.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.339 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.53 31.81 1.44 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.26 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.59 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 88.5 tttt -64.44 148.56 50.28 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.56 91.61 4.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.928 0.394 . . . . 0.0 110.256 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 37.0 mt -101.68 112.29 34.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.933 0.397 . . . . 0.0 111.237 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -87.18 122.99 31.72 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.667 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.465 HD12 HG21 ' A' ' 5' ' ' VAL . 11.4 mt -133.01 148.39 52.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.023 0.439 . . . . 0.0 111.333 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -99.1 133.26 43.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.322 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 m -152.55 -177.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -137.6 155.61 75.16 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -58.69 -33.16 98.13 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 121.848 1.699 . . . . 0.0 111.372 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -83.45 -0.72 51.32 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.483 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -74.08 142.75 45.62 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.008 0.433 . . . . 0.0 110.536 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 7.1 m -83.72 149.99 26.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.098 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.56 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 29.0 mm -59.32 -42.82 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.881 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.02 -35.23 74.61 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.05 0.452 . . . . 0.0 110.177 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 22' ' ' THR . 64.5 m-20 -60.1 -41.52 92.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.465 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 30' ' ' ILE . 41.3 t -63.7 -45.66 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 7.9 mmmm -52.66 -41.88 64.21 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.839 178.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.71 83.66 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.133 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.32 -45.01 92.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.632 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 26' ' ' VAL . 69.1 mt -60.94 -39.49 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.979 177.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -62.99 -36.74 84.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.295 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -69.53 -48.08 61.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.647 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -67.33 -55.84 12.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.008 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -86.39 -70.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.837 0.351 . . . . 0.0 111.441 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.92 -11.36 4.5 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.061 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.57 125.54 89.86 Favored Pre-proline 0 C--N 1.327 -0.382 0 C-N-CA 122.19 0.196 . . . . 0.0 110.658 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 78.1 Cg_exo -52.02 138.88 52.59 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.908 2.405 . . . . 0.0 112.153 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.4 Cg_exo -57.99 -26.4 74.76 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.915 2.41 . . . . 0.0 113.408 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.97 -17.0 61.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 111.314 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -101.96 1.27 36.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.319 0.58 . . . . 0.0 110.125 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.41 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 78.1 mt-30 -97.28 132.71 42.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.137 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.486 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 13.8 mmt180 -125.18 126.65 45.57 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.563 ' HB3' HD12 ' A' ' 50' ' ' LEU . 23.7 mt -105.8 109.91 22.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.223 0.535 . . . . 0.0 110.963 -178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -106.19 126.09 61.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.612 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -125.6 99.31 5.95 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.349 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' B' ' 560' ' ' LEU . . . 61.1 43.89 10.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.734 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.69 -31.2 3.98 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.65 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -78.89 123.11 26.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.766 0.317 . . . . 0.0 110.523 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -79.02 131.98 36.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.077 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 43' ' ' LEU . 45.2 mt -83.18 124.91 30.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.549 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -75.21 136.62 40.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.337 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.05 -30.36 70.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.631 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.0 20.7 38.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.215 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.9 mmt-85 -122.48 167.92 12.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.913 0.357 . . . . 0.0 110.077 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -110.5 167.96 9.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.756 0.312 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.5 mt -70.2 -10.39 58.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.259 0.552 . . . . 0.0 110.479 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.87 -24.78 24.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.758 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -38.17 82.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.248 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -90.82 4.54 51.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.97 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 59.85 83.43 0.13 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.769 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 tp -67.59 139.77 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.079 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -118.79 -177.63 3.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.951 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 pttp -82.53 150.3 27.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.11 41.72 20.08 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.592 0.557 . . . . 0.0 110.971 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.3 m -77.25 137.57 38.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.229 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -121.09 96.34 5.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.261 0.553 . . . . 0.0 111.182 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -75.89 128.79 35.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.482 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.415 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 51.1 m80 -105.27 117.65 34.54 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.075 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.3 tp -92.17 106.75 18.69 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.926 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.486 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 7.4 t -105.43 155.13 6.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.722 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.45 125.44 4.34 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -88.27 127.6 35.46 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.291 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 mt -72.59 156.56 38.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -100.23 -14.11 18.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.078 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.16 153.72 22.49 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.001 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 119.169 -0.795 . . . . 0.0 111.171 179.874 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.879 -0.489 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 1.5 m -119.98 85.19 34.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 120.665 0.269 . . . . 0.0 111.161 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -87.94 169.97 6.32 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.599 2.199 . . . . 0.0 111.544 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.45 124.07 33.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.83 0.347 . . . . 0.0 110.071 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 540' ' ' PHE . . . . . 0.417 ' CD1' ' HA ' ' B' ' 547' ' ' PHE . 21.1 m-85 -67.5 -18.9 65.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.481 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -22.9 66.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.243 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -68.87 126.13 92.5 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.08 -16.69 34.4 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.264 2.643 . . . . 0.0 113.611 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -79.0 -17.51 55.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.006 0.431 . . . . 0.0 110.174 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 13.1 t -101.26 -57.84 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.506 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 546' ' ' ARG . . . . . 0.459 ' C ' ' H ' ' B' ' 548' ' ' GLN . 16.0 mtm180 56.19 47.15 20.01 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.533 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 547' ' ' PHE . . . . . 0.42 ' CE2' HD12 ' B' ' 569' ' ' LEU . 0.2 OUTLIER 73.99 -31.18 0.21 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.205 -179.112 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 548' ' ' GLN . . . . . 0.459 ' H ' ' C ' ' B' ' 546' ' ' ARG . 19.7 tt0 69.04 -40.69 0.45 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.096 0.958 . . . . 0.0 113.455 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -92.91 -46.86 7.3 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.164 -0.335 . . . . 0.0 110.9 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -71.46 -24.95 62.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.138 0.494 . . . . 0.0 110.514 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.43 -22.1 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.958 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -88.46 -5.83 58.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.212 0.53 . . . . 0.0 109.911 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.0 -43.83 6.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.811 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 24.5 mt -69.57 -41.43 75.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.155 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 6.9 m -74.81 -12.61 60.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.018 0.437 . . . . 0.0 110.597 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -79.59 -15.72 57.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.298 0.571 . . . . 0.0 109.985 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 13.0 mmt -97.24 15.26 23.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.522 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 82.0 81.93 0.87 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.862 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -152.36 113.92 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 560' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 83.9 mt -80.62 -12.46 59.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.741 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -77.17 158.62 30.26 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -123.31 -50.53 1.89 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.668 0.271 . . . . 0.0 111.624 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -68.15 -47.3 68.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.872 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -51.08 -35.48 35.15 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.353 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.99 -41.81 99.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.93 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.449 ' O ' HG12 ' B' ' 570' ' ' ILE . 29.5 tp -65.31 -39.59 92.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.759 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -71.16 -44.7 64.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.128 0.489 . . . . 0.0 109.753 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.4 -37.21 72.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.871 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' B' ' 569' ' ' LEU . 0.5 OUTLIER -70.77 -37.41 73.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.573 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.449 HG12 ' O ' ' B' ' 566' ' ' LEU . 42.4 mm -73.96 -45.74 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.528 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.82 70.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.129 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 16.2 p -83.94 -33.82 24.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.866 0.365 . . . . 0.0 111.269 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 98.08 37.81 4.26 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.566 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 89.31 23.3 34.81 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.605 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 575' ' ' ASP . . . . . 0.41 ' HB3' ' HB3' ' B' ' 578' ' ' ALA . 7.3 t70 -113.47 100.72 8.74 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 576' ' ' ILE . . . . . 0.537 ' O ' HG13 ' B' ' 580' ' ' ILE . 11.3 mt -57.16 -56.55 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.368 -178.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -45.42 81.47 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 578' ' ' ALA . . . . . 0.41 ' HB3' ' HB3' ' B' ' 575' ' ' ASP . . . -62.34 -33.89 75.58 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.409 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -66.34 -49.19 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.82 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 580' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 576' ' ' ILE . 45.3 mt -53.85 -45.44 62.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.764 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 581' ' ' GLU . . . . . 0.475 ' HA ' HD23 ' B' ' 584' ' ' LEU . 46.7 mt-10 -62.1 -46.42 89.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.268 0.556 . . . . 0.0 110.377 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -66.65 -35.6 80.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.547 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 14.0 tp -71.03 -33.81 70.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.854 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 584' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' B' ' 581' ' ' GLU . 0.3 OUTLIER -66.89 -24.0 66.06 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.07 0.462 . . . . 0.0 109.767 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -84.82 -62.87 1.65 Allowed Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 9.6 m -153.46 -81.15 0.09 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.859 0.361 . . . . 0.0 110.349 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 54.6 m . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.308 -0.853 . . . . 0.0 109.315 -179.883 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.585 ' SD ' ' HG2' ' A' ' 63' ' ' LYS . 27.0 ptt? . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.982 0.42 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -96.75 154.33 17.35 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.355 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.6 pt -150.33 169.94 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.983 0.421 . . . . 0.0 110.109 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -124.75 138.08 54.3 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.399 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 89.8 t -121.9 109.75 25.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 25.5 tttp -111.4 121.02 44.13 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.213 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.527 HG22 ' HB3' ' A' ' 69' ' ' LEU . 77.6 p -87.04 164.26 16.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.642 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.44 ' CD2' HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -66.4 -19.78 65.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 179.253 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -5.41 50.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.11 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.28 20.75 34.5 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.287 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 33.0 tttm -96.28 138.77 33.39 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.6 m -124.18 113.66 18.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.995 0.426 . . . . 0.0 110.163 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -117.45 134.6 60.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.348 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -94.33 126.36 39.53 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.16 167.34 20.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.941 0.4 . . . . 0.0 111.287 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -118.25 139.44 51.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.79 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.401 ' HA ' ' NZ ' ' A' ' 29' ' ' LYS . 13.5 m -149.26 175.54 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 15.6 mm-40 -121.57 158.02 55.07 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.0 -27.82 86.1 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.335 2.023 . . . . 0.0 112.115 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -99.16 20.92 12.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.182 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.61 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -79.26 140.85 37.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.975 0.417 . . . . 0.0 110.857 -179.565 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -85.47 148.36 26.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.376 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 54' ' ' ARG . 47.8 mm -55.68 -43.44 73.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 121.109 0.481 . . . . 0.0 110.324 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.34 -36.81 84.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.674 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -62.83 -38.69 91.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.261 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.2 t -64.89 -46.22 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -52.49 -42.0 63.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.217 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.72 97.57 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.022 0.439 . . . . 0.0 110.234 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' A' ' 17' ' ' VAL . 95.1 mttt -60.61 -46.47 90.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.691 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -61.06 -39.91 83.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.212 177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -62.03 -35.08 77.5 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.351 0.596 . . . . 0.0 110.19 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -71.73 -47.82 51.28 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.465 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -66.47 -60.18 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.304 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -85.07 -56.35 3.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.94 -5.42 9.02 Favored Glycine 0 C--N 1.321 -0.254 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.094 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.2 mt -71.25 126.04 91.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 40.8 Cg_exo -56.83 139.75 89.8 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.619 2.212 . . . . 0.0 111.879 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.3 Cg_exo -55.14 -25.34 45.39 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.023 2.482 . . . . 0.0 113.071 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -72.52 -22.79 60.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.14 0.495 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -97.6 4.11 50.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.439 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -102.25 129.9 48.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.75 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -124.42 131.58 53.5 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mt -109.88 118.12 35.63 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -112.66 120.4 62.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.646 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -128.54 111.96 13.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.517 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.87 43.83 26.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.772 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.07 2.82 83.77 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.203 -0.522 . . . . 0.0 113.439 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -113.01 124.91 53.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.998 0.399 . . . . 0.0 110.798 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -79.96 120.66 24.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.118 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -81.37 120.85 25.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.136 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.44 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 50.0 mt-10 -81.01 148.47 29.72 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.67 -35.79 73.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.857 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.64 37.74 3.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.204 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.44 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 25.9 mmt180 -134.1 170.58 15.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.855 0.359 . . . . 0.0 110.161 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.6 p -120.08 169.97 9.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.06 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.516 HD22 HD12 ' A' ' 61' ' ' ILE . 65.1 mt -70.43 -13.2 62.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.298 0.57 . . . . 0.0 110.192 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -26.18 30.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -64.24 -42.84 96.34 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.367 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -94.93 4.59 53.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 54.37 61.08 3.18 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.818 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.516 HD12 HD22 ' A' ' 56' ' ' LEU . 62.7 mt -83.38 126.76 40.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.467 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -80.66 -179.24 7.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.969 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 50.7 mtmt -88.65 151.34 22.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.849 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 61.19 39.18 16.14 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.499 0.666 . . . . 0.0 109.847 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.6 m -89.81 158.06 17.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.065 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.3 m -110.25 110.74 21.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.581 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 5.7 mp -102.64 140.78 36.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.133 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 92.8 m-70 -106.6 116.33 31.73 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.527 ' HB3' HG22 ' A' ' 7' ' ' THR . 13.4 tp -91.07 129.4 37.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.272 0.558 . . . . 0.0 110.397 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.44 HG13 ' CD2' ' A' ' 8' ' ' LEU . 65.1 t -110.73 138.06 40.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.678 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.8 mt -99.23 -172.33 2.25 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -146.39 99.32 3.21 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.064 0.459 . . . . 0.0 110.115 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.9 mt -78.11 87.66 4.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.035 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -71.45 -24.15 61.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.313 0.578 . . . . 0.0 109.491 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.53 137.75 11.5 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.248 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.813 -0.993 . . . . 0.0 111.495 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.842 0 N-CA-C 111.799 -0.52 . . . . 0.0 111.799 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.81 78.47 69.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.873 0.368 . . . . 0.0 110.943 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -89.09 170.06 5.02 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.562 2.175 . . . . 0.0 112.657 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -85.21 135.12 34.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.276 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -77.06 -15.36 59.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.069 0.461 . . . . 0.0 110.219 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -66.86 -23.3 66.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.314 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 542' ' ' ASN . . . . . 0.47 ' OD1' ' HG2' ' B' ' 544' ' ' GLU . 32.2 t-20 -73.44 123.01 89.03 Favored Pre-proline 0 C--O 1.237 0.397 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.344 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.49 -28.72 37.16 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.528 2.818 . . . . 0.0 113.813 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 544' ' ' GLU . . . . . 0.47 ' HG2' ' OD1' ' B' ' 542' ' ' ASN . 9.1 pt-20 -65.71 -32.44 74.0 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.452 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 40.5 t -81.79 -53.74 11.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.822 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 546' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 59.7 37.21 22.34 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.973 0.416 . . . . 0.0 110.27 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 547' ' ' PHE . . . . . 0.45 ' HB3' ' HB2' ' B' ' 550' ' ' GLN . 0.2 OUTLIER 73.96 -6.99 1.71 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.263 -179.148 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 65.37 -63.28 0.2 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -91.1 -37.29 13.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 550' ' ' GLN . . . . . 0.45 ' HB2' ' HB3' ' B' ' 547' ' ' PHE . 17.8 mm-40 -66.95 -29.08 68.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 111.136 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 14.1 tp -64.74 -22.7 67.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.508 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -78.6 -16.43 57.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.184 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -93.3 -40.91 10.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.372 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 4.3 mt -69.83 -40.46 75.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.637 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 13.3 m -74.58 -18.92 60.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.48 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.47 -15.22 63.22 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.331 0.586 . . . . 0.0 110.229 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 557' ' ' MET . . . . . 0.534 ' HG3' HD13 ' B' ' 580' ' ' ILE . 47.6 mmm -94.64 12.57 27.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.305 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 71.73 70.04 1.28 Allowed Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.488 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -125.74 133.53 52.05 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 19.4 mt -94.95 -10.37 31.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.783 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -83.35 157.45 22.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 73.8 mmt-85 -129.47 -50.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.622 0.248 . . . . 0.0 111.198 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -64.67 -49.64 70.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.213 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 564' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' B' ' 583' ' ' LEU . . . -58.65 -36.62 74.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.02 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.29 -43.84 98.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.327 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.653 ' O ' HG12 ' B' ' 570' ' ' ILE . 65.6 tp -68.39 -35.78 78.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.891 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -69.7 -45.7 67.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.488 0.661 . . . . 0.0 109.698 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -58.75 -32.6 69.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.672 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' B' ' 569' ' ' LEU . 0.4 OUTLIER -74.24 -35.19 63.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.567 179.607 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.653 HG12 ' O ' ' B' ' 566' ' ' LEU . 44.4 mm -71.11 -42.98 75.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -60.3 -35.98 76.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.716 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 4.7 p -85.07 -44.26 13.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.853 0.359 . . . . 0.0 111.352 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 96.24 2.91 60.37 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.422 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 147.08 -24.34 1.59 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.291 -0.956 . . . . 0.0 112.877 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.82 85.64 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.167 0.508 . . . . 0.0 110.131 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 31.1 mt -58.0 -42.94 83.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.693 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -45.31 94.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.481 0.181 . . . . 0.0 111.374 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -65.04 -35.42 81.1 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.814 0.34 . . . . 0.0 110.251 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -61.04 -57.26 13.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.988 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 580' ' ' ILE . . . . . 0.534 HD13 ' HG3' ' B' ' 557' ' ' MET . 64.7 mt -52.48 -43.96 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.05 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -61.73 -53.3 57.91 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.944 0.402 . . . . 0.0 111.471 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -69.94 -35.86 74.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.039 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 583' ' ' LEU . . . . . 0.453 HD11 ' HB1' ' B' ' 564' ' ' ALA . 59.8 tp -56.37 -49.15 75.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 584' ' ' LEU . . . . . 0.404 ' CD2' HG11 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -73.59 -26.08 60.64 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.705 -179.386 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -73.87 -41.68 40.62 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.003 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 49.7 m -153.05 -78.83 0.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 C--O 1.246 0.904 0 CA-C-O 117.672 -1.156 . . . . 0.0 108.891 -179.607 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.651 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 22.6 ptt? . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -88.12 150.77 23.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.684 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.467 HG12 HG22 ' A' ' 17' ' ' VAL . 2.7 pt -152.53 178.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -131.28 135.71 47.55 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.529 HG21 HD12 ' A' ' 15' ' ' LEU . 61.0 t -118.09 106.06 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.638 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 24.7 mtpp -106.29 121.17 43.66 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.671 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 74.5 p -79.38 159.86 26.93 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.434 HD22 ' H ' ' A' ' 71' ' ' LEU . 2.4 pt? -59.36 -26.69 65.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.042 0.448 . . . . 0.0 110.556 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -14.97 63.04 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.583 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.05 32.57 6.39 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.065 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.638 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 84.6 tttt -108.1 149.22 28.76 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m -123.99 114.66 20.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.092 0.472 . . . . 0.0 111.688 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mp -112.52 126.62 69.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.111 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.63 143.6 30.88 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.529 HD12 HG21 ' A' ' 5' ' ' VAL . 15.3 mt -152.13 164.05 38.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.933 0.397 . . . . 0.0 111.525 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.34 136.51 53.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.651 ' O ' ' HG2' ' A' ' 1' ' ' MET . 2.8 m -155.84 154.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 53.7 mm-40 -107.53 155.7 39.17 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.51 -26.85 56.47 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.152 1.901 . . . . 0.0 112.278 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.07 6.11 47.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.975 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -76.69 146.56 38.0 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.584 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -84.61 152.67 23.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.462 -179.644 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 54' ' ' ARG . 48.3 mm -62.1 -41.35 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.17 0.51 . . . . 0.0 110.051 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -65.53 -37.99 88.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.979 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' HB2' ' OG1' ' A' ' 22' ' ' THR . 17.9 t30 -60.04 -38.24 82.15 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.911 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 22' ' ' THR . 49.7 t -66.25 -44.4 91.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -53.9 -38.1 64.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.936 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.28 -41.35 94.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.025 0.44 . . . . 0.0 109.901 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -60.79 -44.66 96.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.731 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.91 -37.48 78.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.019 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.414 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.2 tt0 -64.82 -34.76 79.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.194 0.521 . . . . 0.0 109.79 177.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -69.88 -46.88 64.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.294 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -72.23 -58.99 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.954 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -86.68 -52.28 5.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 111.66 19.65 7.29 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.152 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.2 mt -93.49 130.61 34.79 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.71 132.87 42.18 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.44 2.093 . . . . 0.0 111.76 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -51.11 -24.57 14.92 Favored 'Trans proline' 0 N--CA 1.476 0.465 0 C-N-CA 123.609 2.872 . . . . 0.0 114.079 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.36 -24.04 61.22 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.406 0.622 . . . . 0.0 110.713 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -98.74 -1.32 40.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.121 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -94.46 128.15 40.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.724 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -123.01 125.07 44.54 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.5 mt -107.1 113.98 27.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.117 0.484 . . . . 0.0 110.891 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.35 130.25 68.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.821 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -131.92 119.84 21.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.694 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' O ' ' HG ' ' B' ' 560' ' ' LEU . . . 63.41 14.51 7.99 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.646 0.591 . . . . 0.0 111.765 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.95 -6.9 48.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.616 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -104.94 133.36 49.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.565 0.221 . . . . 0.0 110.465 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -81.19 127.88 33.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -80.19 121.72 25.95 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.107 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.75 144.25 55.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.609 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.38 -40.93 83.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.63 45.92 3.51 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.813 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' O ' HG12 ' A' ' 23' ' ' ILE . 65.5 mmt-85 -139.81 170.56 15.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.6 p -120.5 170.31 9.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.141 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD22 HG13 ' A' ' 61' ' ' ILE . 57.7 mt -72.32 -5.93 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.219 0.533 . . . . 0.0 110.782 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -19.04 26.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.668 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -70.68 -50.58 35.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.898 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -90.63 3.54 53.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.4 t30 57.49 83.7 0.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.367 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.42 HG13 HD22 ' A' ' 56' ' ' LEU . 44.8 mm -95.96 125.52 48.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.221 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -89.87 -177.94 5.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.012 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 tmmt? -80.76 142.49 33.73 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 61.57 36.17 16.98 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.418 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.6 m -79.66 153.78 29.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.321 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -96.7 90.05 5.16 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.141 0.496 . . . . 0.0 111.323 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -84.0 130.57 34.88 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.588 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 58.3 m80 -104.72 116.4 31.96 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 7' ' ' THR . 19.4 tp -94.31 112.11 23.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.517 HG11 HD21 ' B' ' 584' ' ' LEU . 23.8 t -100.14 142.72 14.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.133 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.434 ' H ' HD22 ' A' ' 8' ' ' LEU . 8.8 mt -130.57 116.26 17.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.506 ' HD3' ' OE1' ' B' ' 581' ' ' GLU . 0.0 OUTLIER -84.15 114.95 22.15 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.4 mt -80.41 135.58 36.19 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.068 0.461 . . . . 0.0 110.991 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -89.47 -34.58 16.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.675 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.36 -143.08 13.99 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.19 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 119.037 -0.868 . . . . 0.0 111.418 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 17.0 m -141.43 82.66 14.13 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.917 0.389 . . . . 0.0 110.253 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -84.21 172.93 9.22 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.902 2.401 . . . . 0.0 112.1 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -93.21 124.87 37.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.919 0.39 . . . . 0.0 110.063 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -66.75 -12.95 60.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.289 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -72.68 -23.27 60.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.523 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.14 126.72 92.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.403 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 543' ' ' PRO . . . . . 0.415 ' O ' ' HG3' ' B' ' 546' ' ' ARG . 36.5 Cg_endo -65.47 -12.76 36.47 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.678 2.252 . . . . 0.0 112.795 -179.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.42 -27.44 31.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.874 0.369 . . . . 0.0 110.425 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 56.6 t -75.59 -49.73 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.002 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 546' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' B' ' 543' ' ' PRO . 8.5 mtm180 57.97 28.1 15.72 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.289 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 73.16 -20.62 0.28 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.557 0.743 . . . . 0.0 112.203 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 548' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' B' ' 546' ' ' ARG . 75.2 mt-30 70.28 -48.68 0.64 Allowed 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 178.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -97.66 -41.86 7.92 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -176.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -68.94 -39.3 79.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 551' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 2.0 tp -68.06 -18.68 64.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.688 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -76.8 -20.37 56.49 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -94.91 -34.04 12.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.391 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 29.9 mt -72.9 -41.17 64.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.983 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 6.0 t -68.28 -24.91 64.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.305 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -76.1 -27.05 56.99 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.216 0.531 . . . . 0.0 109.743 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 20.7 mmt -82.13 -3.31 54.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.497 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 86.67 99.74 0.8 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.856 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -152.59 149.89 28.94 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 560' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 32.2 mt -113.56 -27.83 7.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.716 0.294 . . . . 0.0 111.653 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -89.57 98.75 11.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.294 0.569 . . . . 0.0 110.633 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -66.32 -43.91 84.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.027 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -63.19 -51.38 66.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.072 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 564' ' ' ALA . . . . . 0.405 ' HB1' HD11 ' B' ' 583' ' ' LEU . . . -55.46 -36.25 66.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.217 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -62.2 -41.8 98.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.056 0.455 . . . . 0.0 110.584 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 56.0 tp -65.99 -36.85 84.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.384 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -73.14 -45.62 55.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.165 0.507 . . . . 0.0 110.04 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.04 -37.33 71.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.9 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' B' ' 569' ' ' LEU . 0.4 OUTLIER -70.88 -36.14 72.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.778 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 33.5 mm -75.13 -43.77 44.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.27 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.11 70.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.884 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.406 HG21 ' N ' ' B' ' 579' ' ' ALA . 16.3 p -89.78 -9.6 48.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.767 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 79.43 16.32 78.24 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.998 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 574' ' ' GLY . . . . . 0.445 ' HA2' HD13 ' B' ' 569' ' ' LEU . . . 114.9 -9.85 21.12 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.311 -0.947 . . . . 0.0 113.162 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -75.1 98.5 3.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.001 0.429 . . . . 0.0 110.56 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 576' ' ' ILE . . . . . 0.412 ' O ' HG13 ' B' ' 580' ' ' ILE . 66.6 mt -56.98 -50.96 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.999 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -47.51 81.58 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -62.13 -34.58 76.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.392 . . . . 0.0 110.492 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 579' ' ' ALA . . . . . 0.406 ' N ' HG21 ' B' ' 572' ' ' THR . . . -63.64 -51.95 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.597 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 580' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 576' ' ' ILE . 69.1 mt -52.95 -48.05 52.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.163 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 581' ' ' GLU . . . . . 0.506 ' OE1' ' HD3' ' A' ' 72' ' ' ARG . 25.5 mt-10 -59.5 -51.72 68.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.161 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -67.69 -38.62 83.94 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 583' ' ' LEU . . . . . 0.405 HD11 ' HB1' ' B' ' 564' ' ' ALA . 14.0 tp -60.88 -42.29 97.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -177.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 584' ' ' LEU . . . . . 0.517 HD21 HG11 ' A' ' 70' ' ' VAL . 2.4 pp -97.08 -2.48 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.283 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -73.49 -75.79 0.72 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.445 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 73.2 m -140.2 -76.33 0.33 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.857 0.361 . . . . 0.0 110.386 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.247 0.927 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.421 179.921 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 120.839 0.352 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -101.53 154.74 18.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.001 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.6 pt -148.2 175.11 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.828 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -125.73 139.36 53.6 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 12' ' ' THR . 76.7 t -127.79 127.68 68.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.822 0.344 . . . . 0.0 110.574 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.72 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 24.6 mtpp -125.29 129.92 50.97 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -80.51 178.02 8.6 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.974 0.416 . . . . 0.0 111.662 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.9 tp -61.67 -28.34 69.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.651 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.89 -44.68 22.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.719 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.4 9.28 1.63 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.609 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.72 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 77.8 tttt -68.59 149.85 48.7 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 1.4 m -120.74 122.99 41.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.859 0.362 . . . . 0.0 111.081 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.2 mt -122.79 125.15 71.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -85.99 128.52 34.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.075 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.1 157.28 46.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.153 0.501 . . . . 0.0 111.733 -179.128 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -112.43 136.3 52.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.037 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 m -148.79 -179.46 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.523 ' O ' HD12 ' A' ' 56' ' ' LEU . 15.8 mm-40 -123.21 157.24 61.71 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -58.1 -36.21 98.12 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.384 2.056 . . . . 0.0 112.084 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -95.56 16.7 16.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.415 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.419 ' HB2' ' H ' ' A' ' 18' ' ' GLU . 6.9 t0 -77.52 134.42 38.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.052 0.453 . . . . 0.0 110.34 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.21 146.78 38.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.348 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.573 HG23 HD12 ' A' ' 43' ' ' LEU . 35.8 mm -54.81 -42.05 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.695 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -57.06 -42.03 79.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.655 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -59.17 -42.6 91.18 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.222 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 30' ' ' ILE . 18.5 t -63.05 -48.65 86.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.762 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -55.27 -39.21 69.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.231 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.04 94.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.172 0.511 . . . . 0.0 109.829 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.74 -46.71 88.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.625 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 26' ' ' VAL . 72.0 mt -59.08 -40.12 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.333 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.27 -34.05 77.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.122 0.487 . . . . 0.0 110.545 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -68.0 -45.98 72.58 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.294 0.568 . . . . 0.0 110.201 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -71.66 -60.51 2.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.463 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -80.88 -55.64 4.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.28 3.01 15.32 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.967 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 mt -75.69 124.05 88.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 46.5 Cg_exo -56.65 137.86 82.65 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.478 2.118 . . . . 0.0 111.683 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.3 Cg_exo -55.4 -27.09 56.63 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.994 2.463 . . . . 0.0 112.953 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -72.22 -16.1 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.232 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -109.04 1.97 20.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.011 0.434 . . . . 0.0 110.613 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -95.85 119.27 34.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.0 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 63.1 mtt180 -118.04 127.86 54.21 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.573 HD12 HG23 ' A' ' 23' ' ' ILE . 30.4 mt -106.06 112.15 25.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.378 0.608 . . . . 0.0 111.572 -177.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -107.38 131.44 57.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -138.72 121.93 16.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.534 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.26 30.71 19.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.741 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.409 ' CA ' ' HA ' ' B' ' 559' ' ' PHE . . . 80.79 11.84 83.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.299 179.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -124.77 149.52 47.26 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.505 ' HB3' HD11 ' B' ' 584' ' ' LEU . 8.1 pt20 -88.89 135.73 33.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.074 0.464 . . . . 0.0 111.024 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.2 mt -94.89 124.53 38.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.572 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 42.3 mt-10 -76.76 145.58 38.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.711 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -63.26 -31.86 73.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.818 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.29 22.21 10.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.907 -0.663 . . . . 0.0 113.579 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.483 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 32.0 mmt180 -122.38 164.04 18.7 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.0 p -109.86 170.18 8.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.25 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 18' ' ' GLU . 59.4 mt -70.69 -9.75 57.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.296 0.57 . . . . 0.0 110.182 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.5 -23.44 20.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.328 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.28 -43.54 94.49 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.354 0.597 . . . . 0.0 111.054 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -92.44 5.8 49.41 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.059 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.4 m120 55.23 41.68 31.17 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.329 0.585 . . . . 0.0 110.46 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.5 mt -69.19 130.27 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.847 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.46 169.48 13.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.982 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -72.79 163.79 27.57 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 58.29 33.84 23.51 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 123.578 0.549 . . . . 0.0 110.454 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.61 154.38 32.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.95 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -108.83 85.85 2.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.261 0.553 . . . . 0.0 110.621 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.55 127.99 34.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.91 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.633 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 45.8 m80 -105.56 117.28 33.61 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.225 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 42' ' ' ARG . 13.9 tp -88.78 101.71 14.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.613 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.0 t -86.19 139.06 17.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.242 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.462 ' O ' ' HG2' ' B' ' 581' ' ' GLU . 25.1 mt -114.49 173.62 6.37 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -132.23 116.62 17.18 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.9 mt -72.85 113.12 9.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.335 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -91.93 -13.61 30.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.106 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.67 132.34 5.56 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.475 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.311 -1.272 . . . . 0.0 111.676 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 112.13 -0.388 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 12.1 m -142.7 91.15 7.5 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 122.637 -0.331 . . . . 0.0 110.578 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -87.36 171.72 6.28 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 122.833 2.355 . . . . 0.0 111.873 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 539' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' B' ' 542' ' ' ASN . 3.3 pt-20 -83.5 128.19 34.32 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -70.52 -18.7 62.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -69.45 -22.54 63.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.837 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 542' ' ' ASN . . . . . 0.466 ' HB2' ' HG3' ' B' ' 539' ' ' GLU . 6.0 t-20 -66.22 123.25 84.81 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.011 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.36 -12.98 35.69 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.868 2.379 . . . . 0.0 112.63 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 544' ' ' GLU . . . . . 0.427 ' HG2' ' CG ' ' B' ' 542' ' ' ASN . 10.1 pt-20 -78.95 -14.42 59.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.173 0.511 . . . . 0.0 109.766 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 47.1 t -109.53 -55.28 5.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 546' ' ' ARG . . . . . 0.545 ' HA ' HD13 ' B' ' 566' ' ' LEU . 3.5 mtm180 59.36 44.12 15.65 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.049 -179.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 547' ' ' PHE . . . . . 0.429 ' C ' ' H ' ' B' ' 549' ' ' GLN . 2.6 m-85 74.21 -33.06 0.24 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.806 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 548' ' ' GLN . . . . . 0.411 ' H ' ' C ' ' B' ' 546' ' ' ARG . 29.3 tt0 70.79 -33.59 0.27 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.824 0.85 . . . . 0.0 112.144 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 549' ' ' GLN . . . . . 0.429 ' H ' ' C ' ' B' ' 547' ' ' PHE . 61.8 mm-40 -95.01 -49.23 5.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.002 0.43 . . . . 0.0 110.546 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -68.14 -34.66 76.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.254 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 14.4 tp -66.61 -16.03 63.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.134 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 552' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' B' ' 549' ' ' GLN . 45.9 tp10 -80.92 -26.0 37.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.774 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -93.05 -35.56 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.889 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 30.1 mt -64.82 -38.61 91.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.148 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 5.2 m -82.53 -11.15 58.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.565 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -76.94 -24.38 52.38 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.646 0.736 . . . . 0.0 109.199 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 20.2 mmt -92.24 7.34 43.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.498 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 82.23 88.84 0.67 Allowed Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.967 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 559' ' ' PHE . . . . . 0.409 ' HA ' ' CA ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER -152.21 123.49 7.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.636 0.255 . . . . 0.0 110.515 -179.773 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 92.2 mt -95.05 -12.23 26.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.772 0.32 . . . . 0.0 110.97 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 561' ' ' ASN . . . . . 0.432 ' HB3' ' OD1' ' B' ' 565' ' ' ASN . 5.3 t-20 -67.9 145.32 54.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.199 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -116.58 -65.8 1.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.609 0.225 . . . . 0.0 111.609 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -57.53 -59.41 5.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.867 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 564' ' ' ALA . . . . . 0.608 ' HB1' HD11 ' B' ' 583' ' ' LEU . . . -51.06 -37.53 46.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.877 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 565' ' ' ASN . . . . . 0.432 ' OD1' ' HB3' ' B' ' 561' ' ' ASN . 5.1 m-20 -61.52 -39.11 89.84 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.039 0.447 . . . . 0.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.545 HD13 ' HA ' ' B' ' 546' ' ' ARG . 42.0 tp -68.04 -40.13 82.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.853 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -72.13 -40.04 68.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.201 0.524 . . . . 0.0 109.897 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -59.28 -37.01 76.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.363 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' B' ' 569' ' ' LEU . 0.5 OUTLIER -71.28 -38.78 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.106 179.477 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.416 HG12 ' O ' ' B' ' 566' ' ' LEU . 33.4 mm -67.03 -46.11 85.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.046 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -59.09 -33.95 71.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.483 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.427 HG21 ' N ' ' B' ' 579' ' ' ALA . 10.4 p -89.92 -27.03 20.12 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 83.46 20.42 60.28 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.7 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 122.95 -18.2 8.0 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.24 -0.981 . . . . 0.0 113.684 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -75.34 92.43 2.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.173 0.511 . . . . 0.0 110.461 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 42.9 mt -55.67 -47.98 78.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.109 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -57.88 -46.39 84.95 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -63.1 -37.08 85.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.949 0.404 . . . . 0.0 110.54 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 579' ' ' ALA . . . . . 0.427 ' N ' HG21 ' B' ' 572' ' ' THR . . . -62.49 -55.4 27.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.786 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 91.7 mt -52.93 -44.3 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.224 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 581' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 44.8 mt-10 -60.41 -56.49 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.463 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 19.7 ttt85 -63.83 -37.04 85.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.978 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 583' ' ' LEU . . . . . 0.608 HD11 ' HB1' ' B' ' 564' ' ' ALA . 17.6 tp -70.62 -15.76 62.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.717 -178.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 584' ' ' LEU . . . . . 0.505 HD11 ' HB3' ' A' ' 49' ' ' GLN . 19.3 tp -73.76 -28.46 61.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.925 0.393 . . . . 0.0 110.748 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -109.07 -38.85 1.77 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.508 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 586' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' B' ' 583' ' ' LEU . 13.0 m -133.74 -158.04 0.85 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.736 0.303 . . . . 0.0 110.384 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.446 -0.787 . . . . 0.0 109.468 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.783 0.325 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -105.16 155.73 18.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.768 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.7 pt -147.27 169.66 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.088 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -121.77 135.93 54.93 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.471 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 58.9 t -124.24 124.06 67.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.655 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 93.1 mttt -117.38 122.62 44.34 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.454 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.87 -177.73 6.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.99 -29.15 67.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.625 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -84.89 3.45 38.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.25 31.22 57.59 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.191 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.655 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 73.9 tttt -78.11 156.89 29.7 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -117.01 94.84 4.74 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.839 0.352 . . . . 0.0 110.59 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.3 mt -101.24 118.86 48.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.254 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.95 132.18 36.11 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.067 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.19 163.94 31.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.103 0.478 . . . . 0.0 111.443 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -112.54 135.22 53.5 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.379 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.1 m -146.82 -177.25 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.235 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 14.8 mm-40 -133.63 159.34 72.87 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.97 -30.35 91.49 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.12 1.88 . . . . 0.0 111.113 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.03 26.86 4.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.965 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -91.06 137.47 32.34 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.301 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 26' ' ' VAL . 37.5 p -87.43 152.54 22.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.2 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.6 mm -59.06 -37.56 68.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.91 0.386 . . . . 0.0 110.129 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -61.3 -40.21 93.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.749 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -66.8 -39.71 87.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.578 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 22' ' ' THR . 40.0 t -62.61 -49.97 81.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -54.08 -35.88 62.54 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.961 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.51 92.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.139 0.495 . . . . 0.0 110.387 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -60.54 -49.75 76.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.308 178.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.2 mt -60.68 -37.48 75.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.166 0.508 . . . . 0.0 110.143 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -61.38 -37.09 82.14 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.436 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.95 -46.7 50.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.471 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -65.87 -65.91 0.62 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.655 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -78.42 -52.42 8.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.722 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.45 -1.6 14.1 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.925 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.401 ' H ' HG13 ' A' ' 36' ' ' ILE . 14.9 mt -69.45 127.51 92.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.55 132.66 36.39 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.474 2.116 . . . . 0.0 111.648 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -52.01 -32.27 47.67 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.089 2.526 . . . . 0.0 113.341 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -69.11 -14.38 62.97 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.198 0.523 . . . . 0.0 111.234 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -109.52 4.04 21.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.066 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -104.31 123.4 47.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.411 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.429 ' O ' HD12 ' A' ' 69' ' ' LEU . 77.4 mtt180 -122.24 135.49 54.76 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HB3' HD12 ' A' ' 50' ' ' LEU . 17.2 mt -110.57 121.17 44.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.224 0.535 . . . . 0.0 112.398 -177.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.68 129.9 66.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.743 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -130.77 109.51 10.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.762 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.74 20.7 10.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.906 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.82 -4.66 49.99 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.816 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -99.61 138.29 36.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.526 0.203 . . . . 0.0 110.503 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -87.94 118.69 27.66 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' A' ' 43' ' ' LEU . 12.8 mt -80.52 119.71 23.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.128 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.492 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 14.4 mt-10 -77.1 149.94 35.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.433 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -47.27 82.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.9 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.4 45.03 2.99 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.261 -0.495 . . . . 0.0 113.571 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.492 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.6 mmt180 -132.51 164.76 25.88 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 21.2 p -113.67 159.53 19.58 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.264 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.3 mt -67.61 -10.39 51.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.22 0.533 . . . . 0.0 110.48 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -22.24 29.57 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.762 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -67.67 -50.66 56.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.979 0.419 . . . . 0.0 110.911 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -87.93 5.42 40.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.411 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 56.36 51.27 11.75 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.661 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.6 mm -79.3 103.15 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.023 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -82.4 -176.59 6.29 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.308 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -74.21 159.8 32.03 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.948 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 65.0 12.54 7.98 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.01 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.0 m -73.5 150.48 41.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.602 0.239 . . . . 0.0 110.736 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.3 m -105.85 102.11 11.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.187 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 6.1 mp -92.69 133.27 36.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.375 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.484 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 75.4 m80 -104.22 118.28 36.26 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.869 0.366 . . . . 0.0 111.01 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 42' ' ' ARG . 27.7 tp -91.29 117.52 29.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.2 t -99.19 131.83 45.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.331 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.1 mt -114.87 88.17 2.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.726 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.448 ' HD3' ' OE1' ' B' ' 581' ' ' GLU . 0.0 OUTLIER -80.62 116.51 20.69 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.9 mt -101.17 165.83 11.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -87.86 -19.08 27.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.684 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.35 -154.38 27.88 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.023 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.92 -0.934 . . . . 0.0 111.78 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 24.3 m -120.87 89.71 45.87 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-O 120.798 0.333 . . . . 0.0 110.24 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.65 168.38 12.7 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.628 2.219 . . . . 0.0 112.266 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -96.3 125.68 40.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -70.26 -11.36 60.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.29 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -74.52 -16.85 60.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.996 0.427 . . . . 0.0 110.206 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -76.19 124.84 88.35 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.016 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.86 -8.88 19.2 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.971 2.447 . . . . 0.0 113.376 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -85.26 -19.22 31.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.094 0.473 . . . . 0.0 110.345 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 59.1 t -92.46 -45.61 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.256 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 546' ' ' ARG . . . . . 0.403 ' C ' ' H ' ' B' ' 548' ' ' GLN . 1.5 mtt180 56.7 39.08 29.89 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.535 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 75.22 -17.24 0.51 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.577 0.751 . . . . 0.0 111.625 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 548' ' ' GLN . . . . . 0.403 ' H ' ' C ' ' B' ' 546' ' ' ARG . 13.0 tt0 68.22 -52.27 0.54 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -93.55 -40.58 10.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.274 -0.266 . . . . 0.0 111.694 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -69.55 -29.52 67.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.077 0.465 . . . . 0.0 110.748 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 551' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' B' ' 555' ' ' SER . 15.1 tp -62.52 -24.25 67.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.709 179.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -80.41 -15.32 57.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.696 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -95.13 -36.5 11.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.956 0.408 . . . . 0.0 110.087 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.25 -37.32 61.06 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 555' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' B' ' 551' ' ' LEU . 0.3 OUTLIER -71.12 -18.76 62.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.892 178.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.44 -23.69 63.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.129 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 557' ' ' MET . . . . . 0.487 ' HG3' HD13 ' B' ' 580' ' ' ILE . 23.9 mmt -95.77 -11.89 26.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.192 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 87.52 116.31 1.15 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.785 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -154.05 128.56 9.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 26.0 mt -71.78 -28.56 63.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.457 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -85.8 157.02 20.34 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.041 0.448 . . . . 0.0 110.727 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -122.21 -43.97 2.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.782 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -69.42 -42.99 74.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.571 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 564' ' ' ALA . . . . . 0.544 ' HB1' HD11 ' B' ' 583' ' ' LEU . . . -56.2 -36.27 68.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.891 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -61.69 -41.88 98.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.332 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 46.0 tp -64.74 -36.16 83.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.873 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -75.09 -40.45 60.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.907 0.384 . . . . 0.0 110.445 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 568' ' ' ALA . . . . . 0.517 ' HB2' HD13 ' B' ' 583' ' ' LEU . . . -56.8 -35.82 69.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.044 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' B' ' 569' ' ' LEU . 0.7 OUTLIER -72.66 -33.74 66.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.925 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 21.8 mm -76.32 -42.35 36.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.843 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -57.84 -40.77 80.85 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.215 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 11.5 p -80.37 -50.84 9.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.38 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 109.85 1.43 30.38 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.178 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 147.48 -24.39 1.53 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.55 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -74.21 92.12 2.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.011 0.434 . . . . 0.0 110.689 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 78.2 mt -61.56 -42.09 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.808 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.41 -45.21 94.43 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 122.148 -0.345 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -66.1 -33.68 76.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.064 0.459 . . . . 0.0 109.907 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 579' ' ' ALA . . . . . 0.434 ' HB1' ' HB1' ' B' ' 568' ' ' ALA . . . -60.26 -56.15 24.97 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.772 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 580' ' ' ILE . . . . . 0.487 HD13 ' HG3' ' B' ' 557' ' ' MET . 41.9 mt -52.74 -40.21 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.342 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 581' ' ' GLU . . . . . 0.448 ' OE1' ' HD3' ' A' ' 72' ' ' ARG . 18.9 mt-10 -63.38 -49.49 73.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.379 0.609 . . . . 0.0 110.808 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 15.9 ttt85 -73.34 -36.98 66.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.307 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 583' ' ' LEU . . . . . 0.544 HD11 ' HB1' ' B' ' 564' ' ' ALA . 17.1 tp -65.08 -24.71 67.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.212 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 584' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.16 -22.03 65.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.927 0.394 . . . . 0.0 110.093 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -89.12 -61.81 1.39 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.919 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 37.5 m -149.04 -90.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.606 -0.349 . . . . 0.0 110.957 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 587' ' ' SER . . . . . 1.205 ' OG ' ' CB ' ' B' ' 587' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.238 0 CA-C-O 118.731 -0.652 . . . . 0.0 110.123 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptt? . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.854 0.359 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -110.09 158.39 18.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.997 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 pt -151.85 -175.43 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.92 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -132.11 137.19 47.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.31 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -128.61 130.02 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.097 0.475 . . . . 0.0 110.525 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -118.14 172.31 7.51 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.446 ' HB ' ' H ' ' A' ' 8' ' ' LEU . 13.5 p -120.11 -145.1 0.36 Allowed 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' H ' ' HB ' ' A' ' 7' ' ' THR . 14.1 tp -75.97 -14.89 60.24 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 p -110.14 -172.0 1.95 Allowed 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.826 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.23 26.54 6.87 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.86 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -69.77 152.85 44.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.701 0.286 . . . . 0.0 110.888 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.0 m -130.02 118.67 21.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.891 0.376 . . . . 0.0 111.231 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mt -117.94 124.4 73.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.309 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.52 139.7 31.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.341 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mt -148.68 141.68 24.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.976 0.417 . . . . 0.0 111.505 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -91.94 134.17 35.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 m -151.31 -172.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -147.1 158.82 44.13 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.09 -38.64 90.78 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 121.88 1.72 . . . . 0.0 111.768 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.56 2.99 23.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.126 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -78.16 131.81 37.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.498 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -75.99 152.78 36.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -179.569 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 54' ' ' ARG . 38.5 mm -60.39 -38.89 79.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.525 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -60.59 -39.66 88.91 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 22' ' ' THR . 28.0 m-20 -58.39 -45.32 88.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.758 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.48 -46.61 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.624 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -52.69 -42.71 65.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.154 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.33 96.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.98 0.419 . . . . 0.0 109.994 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.25 -45.58 90.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.607 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.6 mt -60.22 -40.38 83.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.238 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.416 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.0 tt0 -63.76 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.565 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -69.42 -50.84 42.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.832 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -67.41 -58.16 5.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.056 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -83.58 -67.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.766 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 125.18 44.47 0.27 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.814 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 39.1 mt -119.17 124.72 28.03 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 31.9 Cg_exo -59.33 131.73 42.55 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.618 2.212 . . . . 0.0 111.839 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 75.0 Cg_exo -51.72 -24.73 18.62 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 123.527 2.818 . . . . 0.0 114.197 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -72.38 -21.33 61.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.251 0.548 . . . . 0.0 111.037 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -104.21 0.19 29.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.683 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -91.36 128.64 37.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.074 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.55 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 64.7 mtt180 -127.9 121.52 30.2 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 177.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.426 HD12 HG23 ' A' ' 23' ' ' ILE . 37.6 mt -103.64 106.61 17.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.296 0.569 . . . . 0.0 110.896 -177.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.419 HD11 HD13 ' B' ' 584' ' ' LEU . 1.7 mp -102.79 124.79 57.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.012 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -125.71 110.79 14.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.203 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.66 25.19 14.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.056 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.19 2.97 63.75 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.878 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -115.94 132.56 56.61 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -82.67 126.32 32.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.774 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.83 117.82 21.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.739 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.538 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 37.7 mt-10 -71.51 141.82 50.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.674 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.85 -39.42 62.55 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.6 12.58 39.87 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.776 -0.726 . . . . 0.0 114.739 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.538 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.9 mmt180 -108.21 168.59 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.666 0.733 . . . . 0.0 110.453 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.8 p -110.54 171.47 7.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.31 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.1 mt -76.01 0.14 19.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 111.61 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 p -107.12 -12.91 15.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.458 0.646 . . . . 0.0 109.816 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -69.45 -41.58 76.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.197 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.431 ' O ' ' HB3' ' A' ' 60' ' ' ASN . 94.5 m-85 -90.46 19.84 4.98 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.444 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.431 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 29.3 t30 69.77 106.75 0.06 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.165 0.507 . . . . 0.0 110.964 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.6 tp -62.2 134.39 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.417 0.627 . . . . 0.0 111.36 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -130.24 136.01 48.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.561 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 141.7 57.27 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 57.4 54.76 6.3 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.21 124.58 23.85 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.336 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 m -110.11 94.29 4.94 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 121.562 0.696 . . . . 0.0 110.588 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -81.38 130.14 34.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.024 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -107.67 114.77 28.98 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.892 0.377 . . . . 0.0 110.897 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.55 ' HA ' ' O ' ' A' ' 42' ' ' ARG . 14.0 tp -88.6 93.96 9.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.936 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 t -78.99 139.64 18.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.004 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.7 mt -123.77 118.41 27.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.957 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.516 ' HA ' ' OE1' ' B' ' 581' ' ' GLU . 21.9 ttt180 -93.61 125.14 38.06 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.7 mt -82.09 155.26 25.16 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.331 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -101.67 -34.44 9.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.628 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.18 -176.86 15.2 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.677 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.836 -0.98 . . . . 0.0 111.915 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 4.6 m -125.36 83.68 60.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -90.27 171.8 3.67 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.827 2.352 . . . . 0.0 112.906 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -103.07 137.53 41.13 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -77.94 -2.89 39.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.731 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -75.23 -26.38 58.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.949 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -70.25 132.19 88.16 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.838 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 543' ' ' PRO . . . . . 0.466 ' O ' ' HG3' ' B' ' 546' ' ' ARG . 37.2 Cg_endo -65.72 -16.59 53.92 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.985 2.456 . . . . 0.0 112.599 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.49 -28.43 46.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.137 0.494 . . . . 0.0 109.964 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.09 -48.06 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.232 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 546' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' B' ' 543' ' ' PRO . 50.0 mtm180 58.48 33.09 22.82 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.824 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 71.74 -7.34 1.27 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.324 0.65 . . . . 0.0 112.168 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 67.97 -67.26 0.19 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -94.55 -34.2 12.75 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -175.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -66.1 -31.06 71.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.175 0.512 . . . . 0.0 110.548 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 551' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 12.1 tp -65.89 -20.42 66.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.637 178.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -79.34 -18.93 51.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.334 0.588 . . . . 0.0 109.938 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -90.02 -35.3 15.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.669 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 554' ' ' LEU . . . . . 0.759 HD13 ' HB3' ' B' ' 565' ' ' ASN . 4.1 mt -72.57 -40.77 66.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.507 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 15.7 m -70.91 -21.08 62.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.783 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -78.47 -14.05 59.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.257 0.551 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 17.8 mmt -106.46 5.61 29.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.562 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 77.35 99.3 0.18 Allowed Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.826 -0.624 . . . . 0.0 113.048 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 559' ' ' PHE . . . . . 0.497 ' HB3' HD21 ' B' ' 565' ' ' ASN . 5.7 m-85 -149.03 110.25 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 31.1 mt -71.92 -23.01 61.4 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -82.5 164.47 20.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -128.36 -50.86 1.29 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.683 0.278 . . . . 0.0 111.169 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -66.88 -48.6 68.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.719 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 564' ' ' ALA . . . . . 0.603 ' HB1' HD11 ' B' ' 583' ' ' LEU . . . -54.24 -35.17 62.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.107 0.48 . . . . 0.0 110.798 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 565' ' ' ASN . . . . . 0.759 ' HB3' HD13 ' B' ' 554' ' ' LEU . 2.5 m-20 -64.05 -40.55 96.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.454 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.442 ' O ' HG12 ' B' ' 570' ' ' ILE . 33.6 tp -67.01 -37.96 85.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.939 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -69.83 -45.12 68.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.185 0.517 . . . . 0.0 109.673 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 568' ' ' ALA . . . . . 0.489 ' HB1' ' HB1' ' B' ' 579' ' ' ALA . . . -57.25 -33.12 67.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.658 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.552 HD23 HD11 ' B' ' 554' ' ' LEU . 0.4 OUTLIER -75.91 -39.67 55.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.886 179.663 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.442 HG12 ' O ' ' B' ' 566' ' ' LEU . 37.3 mm -67.52 -48.25 77.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.856 0.36 . . . . 0.0 110.319 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -55.84 -40.57 73.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.919 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 19.1 p -78.4 -45.1 23.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.058 0.456 . . . . 0.0 110.435 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 102.66 6.04 47.35 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.134 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 140.62 -24.72 2.61 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.555 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -71.14 89.09 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 576' ' ' ILE . . . . . 0.43 ' O ' HG13 ' B' ' 580' ' ' ILE . 53.2 mt -60.27 -43.34 93.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.363 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -57.57 -46.29 84.14 Favored 'General case' 0 C--O 1.231 0.126 0 O-C-N 122.446 -0.159 . . . . 0.0 111.225 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 578' ' ' ALA . . . . . 0.495 ' HA ' ' OE2' ' B' ' 581' ' ' GLU . . . -62.64 -32.66 73.73 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.111 0.482 . . . . 0.0 110.307 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 579' ' ' ALA . . . . . 0.489 ' HB1' ' HB1' ' B' ' 568' ' ' ALA . . . -66.43 -52.12 49.71 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.768 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 580' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 576' ' ' ILE . 76.3 mt -52.32 -44.56 42.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.828 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 581' ' ' GLU . . . . . 0.516 ' OE1' ' HA ' ' A' ' 72' ' ' ARG . 38.4 mt-10 -57.08 -55.24 37.28 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.382 0.61 . . . . 0.0 110.579 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -68.97 -45.69 70.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.119 -0.946 . . . . 0.0 113.028 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 583' ' ' LEU . . . . . 0.603 HD11 ' HB1' ' B' ' 564' ' ' ALA . 23.7 tp -56.31 -38.49 71.34 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -176.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 584' ' ' LEU . . . . . 0.419 HD13 HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -69.68 -24.58 63.62 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.065 -179.594 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -93.16 -61.35 1.14 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.444 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 66.5 m -152.51 140.08 19.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.783 0.325 . . . . 0.0 110.372 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.486 -0.768 . . . . 0.0 110.695 -179.634 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.83 0.348 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -99.56 154.98 17.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.493 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.6 pt -149.46 169.79 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -130.53 138.51 50.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.568 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.443 ' HB ' ' HB ' ' A' ' 13' ' ' ILE . 95.6 t -121.29 117.42 52.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.973 0.416 . . . . 0.0 110.436 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.641 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 22.2 mmtp -107.21 119.48 39.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.547 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.5 p -86.25 -175.4 5.49 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.649 0.262 . . . . 0.0 111.094 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.47 HD11 HG13 ' A' ' 70' ' ' VAL . 71.5 mt -64.6 -29.91 70.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.08 0.467 . . . . 0.0 110.789 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -0.43 49.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.106 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.36 20.82 68.51 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.471 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.641 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 8.4 tttt -73.69 151.76 40.64 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.66 99.63 7.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.938 0.399 . . . . 0.0 111.215 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.443 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 12.6 mt -98.46 112.56 30.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.691 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -82.68 128.92 34.81 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.029 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.8 mt -137.57 167.71 21.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.076 0.465 . . . . 0.0 111.269 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -122.73 138.4 54.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.03 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -161.92 -173.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -178.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -143.26 154.26 60.64 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.66 -26.53 38.11 Favored 'Trans proline' 0 N--CA 1.476 0.463 0 C-N-CA 123.038 2.492 . . . . 0.0 113.82 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -85.29 -6.36 59.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.83 150.44 36.1 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.876 0.369 . . . . 0.0 110.85 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 4.2 p -89.75 158.95 17.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.247 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.573 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 47.1 mm -62.04 -38.62 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -59.7 -42.49 93.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.995 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -58.16 -35.19 71.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.071 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.475 ' O ' HG13 ' A' ' 30' ' ' ILE . 34.7 t -70.63 -45.39 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.467 178.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 7.9 mmmm -48.91 -46.73 43.32 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.13 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.5 99.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.079 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -58.35 -49.46 77.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.562 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 26' ' ' VAL . 15.1 mt -61.37 -36.09 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.353 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 58.9 tt0 -63.89 -37.99 89.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.131 0.491 . . . . 0.0 110.327 178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.95 -45.82 69.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.266 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -68.01 -64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.349 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -80.68 -55.67 4.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.855 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 113.07 40.68 1.04 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.106 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.0 mt -116.62 123.54 30.38 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.46 137.59 72.7 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.553 2.169 . . . . 0.0 111.915 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.88 -24.71 32.43 Favored 'Trans proline' 0 N--CA 1.474 0.332 0 C-N-CA 123.176 2.584 . . . . 0.0 113.282 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -18.22 61.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.725 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -105.8 1.77 27.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.048 0.451 . . . . 0.0 110.737 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.493 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 39.7 mt-30 -105.56 136.57 44.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.197 -178.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -132.84 135.71 45.8 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -110.71 123.52 50.19 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.61 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -116.36 128.73 73.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.011 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -126.5 104.08 7.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.181 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.31 33.3 16.6 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.311 0.577 . . . . 0.0 110.729 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.07 -16.16 59.29 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.451 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -88.68 117.84 27.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.651 0.262 . . . . 0.0 110.389 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -72.77 127.56 32.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.221 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.8 mt -87.57 116.71 25.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.09 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -78.11 145.41 35.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.352 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.21 -32.44 68.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.973 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.35 35.24 3.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.713 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -132.99 162.16 32.43 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 80.4 p -111.3 172.98 6.56 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.31 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.0 mt -73.92 -3.63 30.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.948 0.404 . . . . 0.0 110.526 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.9 m -97.05 -17.14 20.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.192 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.08 -58.02 5.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.988 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -85.53 3.88 38.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.434 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 t30 59.67 74.57 0.44 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.861 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.4 mp -95.15 124.64 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.039 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -86.55 176.63 7.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.871 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.38 142.11 39.46 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.198 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.54 40.99 13.01 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.796 0.808 . . . . 0.0 110.391 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.18 155.57 26.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.11 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 m -103.62 89.96 3.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.311 0.577 . . . . 0.0 110.55 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.11 133.8 35.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.841 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.581 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 9.5 m80 -102.97 114.14 28.18 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.769 0.318 . . . . 0.0 111.246 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.5 tp -90.77 125.25 35.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.038 0.446 . . . . 0.0 110.114 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.47 HG13 HD11 ' A' ' 8' ' ' LEU . 57.7 t -108.03 134.93 48.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.224 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.7 mt -115.81 130.83 57.0 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -100.11 113.29 25.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.831 0.348 . . . . 0.0 110.717 -179.382 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.6 mt -67.95 116.21 8.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.51 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -87.21 -18.25 30.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.603 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -124.59 143.79 14.88 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.701 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.572 -1.127 . . . . 0.0 111.371 -179.906 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.996 -0.441 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.88 92.06 45.52 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-O 120.865 0.364 . . . . 0.0 110.523 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -90.61 -161.83 0.11 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.958 2.439 . . . . 0.0 111.778 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -125.0 146.63 49.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.839 0.352 . . . . 0.0 110.103 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -83.99 -14.3 51.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.041 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -69.17 -27.28 65.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.727 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -74.99 121.78 86.03 Favored Pre-proline 0 C--O 1.236 0.393 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.965 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.35 -0.92 6.41 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.969 2.446 . . . . 0.0 113.452 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -82.82 -21.28 34.53 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 6.7 t -101.9 -50.48 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.931 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 546' ' ' ARG . . . . . 0.508 ' O ' ' HB2' ' B' ' 547' ' ' PHE . 5.2 mtm180 57.18 49.73 12.99 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.964 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 547' ' ' PHE . . . . . 0.508 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 14.5 m-85 74.93 -37.87 0.36 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.158 0.583 . . . . 0.0 111.872 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 73.58 -40.63 0.47 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.767 0.827 . . . . 0.0 112.455 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -96.26 -46.97 6.22 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.877 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -65.85 -32.21 73.6 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 551' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 14.4 tp -66.54 -19.11 65.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.864 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -80.89 -15.01 57.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.184 0.516 . . . . 0.0 110.006 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.42 -35.6 9.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.382 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 52.7 mt -67.82 -43.4 79.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.076 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 5.1 m -76.96 -16.88 59.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.549 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -78.74 -24.27 44.93 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.412 0.625 . . . . 0.0 109.97 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 10.3 mmt -85.42 12.08 9.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.89 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 77.59 78.08 0.79 Allowed Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.805 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 559' ' ' PHE . . . . . 0.413 ' CE1' HD23 ' B' ' 583' ' ' LEU . 29.2 m-85 -147.43 138.72 23.78 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 36.9 mt -106.73 -15.66 14.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.21 152.05 42.49 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.441 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -114.95 -59.1 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.095 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -65.0 -49.23 71.07 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.591 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.18 81.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.348 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -63.87 -37.5 87.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.081 0.467 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' B' ' 546' ' ' ARG . 53.7 tp -63.42 -39.8 95.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.426 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -76.86 -37.69 55.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.926 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.95 75.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.994 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' B' ' 569' ' ' LEU . 0.7 OUTLIER -69.76 -32.97 71.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.146 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 35.6 mm -73.44 -45.28 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.456 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -55.69 -42.11 74.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.149 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 68.9 p -81.69 -30.17 32.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.802 0.334 . . . . 0.0 111.219 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 97.78 10.93 51.88 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.319 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 128.29 -16.15 6.03 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.72 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -72.61 100.52 2.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.92 0.39 . . . . 0.0 110.496 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.97 -48.67 88.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.093 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.74 -48.4 75.29 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -63.26 -34.24 77.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -62.15 -51.07 69.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.769 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 84.3 mt -54.24 -45.6 67.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.442 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 581' ' ' GLU . . . . . 0.403 ' OE1' ' HD3' ' A' ' 72' ' ' ARG . 22.1 mt-10 -66.85 -34.63 78.22 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 121.137 0.494 . . . . 0.0 110.624 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -72.89 -40.07 65.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.241 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 583' ' ' LEU . . . . . 0.413 HD23 ' CE1' ' B' ' 559' ' ' PHE . 15.6 tp -56.77 -53.39 58.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.596 -178.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 584' ' ' LEU . . . . . 0.4 HD21 HG11 ' A' ' 70' ' ' VAL . 1.3 pp -93.0 21.06 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.223 0.535 . . . . 0.0 110.806 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -109.22 -65.96 0.57 Allowed Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.813 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 28.9 m -158.55 140.26 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.584 179.833 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -104.56 155.89 18.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.725 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 pt -147.25 174.88 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -121.82 135.41 54.91 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.3 t -123.44 112.72 34.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 4.1 tttp -112.2 127.85 56.07 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.461 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 p -83.93 174.1 10.64 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.051 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.554 HD11 HG13 ' A' ' 70' ' ' VAL . 26.1 mt -66.53 -21.82 66.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.182 0.515 . . . . 0.0 110.196 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.35 -19.88 57.76 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.791 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.18 11.23 39.95 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.935 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 86.6 tttt -76.22 147.32 38.46 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.9 m -117.25 109.02 16.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.162 0.506 . . . . 0.0 110.89 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 mt -105.01 122.89 58.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.618 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.448 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -87.22 123.91 32.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.965 178.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mt -133.25 153.77 51.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.94 0.4 . . . . 0.0 111.441 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -108.93 137.1 47.39 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 m -148.08 -170.54 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' HD12 ' A' ' 56' ' ' LEU . 5.3 mm-40 -147.18 158.53 44.33 Favored Pre-proline 0 C--N 1.32 -0.713 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.28 -37.65 81.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.213 1.942 . . . . 0.0 112.558 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.84 6.46 24.58 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.5 t0 -75.46 139.87 42.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.925 0.393 . . . . 0.0 110.233 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -82.83 147.53 28.29 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.763 -179.758 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.6 mm -56.98 -46.18 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.078 0.466 . . . . 0.0 110.51 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -64.31 -33.13 75.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.456 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -63.84 -38.5 91.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.025 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 22' ' ' THR . 47.2 t -64.55 -44.22 96.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -54.8 -38.22 67.06 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.282 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.73 98.41 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.306 0.574 . . . . 0.0 109.67 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -61.11 -44.84 96.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.218 178.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.4 mt -61.24 -40.57 86.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.228 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -61.41 -33.17 73.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.307 0.575 . . . . 0.0 110.222 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.95 -45.83 55.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.403 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' HE3' ' O ' ' A' ' 14' ' ' THR . 54.6 mttm -68.71 -56.47 8.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.295 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -88.49 -61.63 1.67 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.74 -12.06 5.14 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.454 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 11.7 mt -70.01 125.42 91.98 Favored Pre-proline 0 C--N 1.323 -0.58 0 O-C-N 122.939 -0.153 . . . . 0.0 110.723 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 27.5 Cg_exo -62.71 143.21 91.84 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.686 2.257 . . . . 0.0 112.076 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 54.5 Cg_exo -54.02 -24.31 31.94 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.248 2.632 . . . . 0.0 113.856 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.52 -21.55 59.49 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.171 0.51 . . . . 0.0 110.955 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -100.0 1.79 42.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.783 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -101.48 143.43 31.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.29 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -134.23 131.27 38.31 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 176.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 43' ' ' LEU . 21.5 mt -108.43 118.7 37.47 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.249 0.547 . . . . 0.0 112.103 -178.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.54 126.93 68.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.862 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.454 ' HB3' HD21 ' A' ' 50' ' ' LEU . 77.8 t80 -135.98 128.89 31.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.882 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.18 20.47 11.73 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.538 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' B' ' 558' ' ' GLY . . . 93.89 -0.82 67.46 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.751 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -120.9 152.18 38.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.114 0.457 . . . . 0.0 111.359 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -82.32 141.84 32.54 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.396 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.454 HD21 ' HB3' ' A' ' 45' ' ' PHE . 35.9 mt -98.25 146.8 25.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -90.57 141.24 28.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.151 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.4 -41.32 98.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.028 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.79 47.78 3.87 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.703 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.1 mmt-85 -141.57 163.45 32.9 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.5 p -108.82 163.95 12.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.726 0.298 . . . . 0.0 110.564 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.502 HD22 HG13 ' A' ' 61' ' ' ILE . 85.4 mt -68.81 -14.83 63.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.214 0.53 . . . . 0.0 109.966 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -24.27 39.1 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.868 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -68.96 -47.13 66.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.813 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -88.72 3.21 51.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 57.95 62.01 2.2 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.072 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.502 HG13 HD22 ' A' ' 56' ' ' LEU . 48.4 mm -79.57 122.93 35.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -96.81 174.16 6.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.985 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -63.32 132.42 51.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.026 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 63.29 41.61 7.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.134 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.8 m -78.24 146.91 34.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -93.94 101.32 13.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.793 0.33 . . . . 0.0 111.572 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -96.76 131.72 43.18 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.544 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 33.9 m80 -102.95 117.48 34.7 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.215 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.2 tp -89.16 118.04 28.58 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.093 0.473 . . . . 0.0 109.938 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.554 HG13 HD11 ' A' ' 8' ' ' LEU . 81.8 t -102.06 136.22 35.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.273 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.2 mt -123.16 114.87 20.88 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.545 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -92.03 129.68 37.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.191 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.2 mt -97.37 134.25 40.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.46 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -86.67 -23.03 25.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.387 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.28 178.41 25.44 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.818 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.793 -1.004 . . . . 0.0 111.544 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 536' ' ' GLY . . . . . 0.413 ' O ' ' HD3' ' B' ' 538' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.914 -0.474 . . . . 0.0 111.914 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.73 91.78 13.11 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 538' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' B' ' 536' ' ' GLY . 53.1 Cg_endo -92.47 161.43 2.97 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 122.921 2.414 . . . . 0.0 112.923 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -84.62 118.47 24.39 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -62.48 -23.53 66.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.324 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -64.64 -23.84 67.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.879 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.65 126.24 90.41 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.3 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.96 -16.04 51.6 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.828 2.352 . . . . 0.0 112.413 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.99 -30.35 44.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.152 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 63.8 t -79.55 -49.25 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.335 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 546' ' ' ARG . . . . . 0.548 ' O ' ' HB2' ' B' ' 551' ' ' LEU . 43.5 mtm180 60.48 36.51 20.1 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.469 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 75.24 -21.62 0.29 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.527 0.731 . . . . 0.0 110.972 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 548' ' ' GLN . . . . . 0.44 ' H ' ' C ' ' B' ' 546' ' ' ARG . 48.9 tt0 71.25 -56.18 0.64 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.913 0.885 . . . . 0.0 113.119 178.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -86.22 -56.52 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 550' ' ' GLN . . . . . 0.465 ' HA ' ' OE1' ' B' ' 550' ' ' GLN . 11.1 mm-40 -60.7 -22.83 64.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.786 0.327 . . . . 0.0 111.819 -178.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 551' ' ' LEU . . . . . 0.548 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 34.2 tp -63.61 -24.63 67.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.592 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -80.32 -12.03 59.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.015 0.436 . . . . 0.0 110.374 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -98.59 -41.25 7.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.933 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 554' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' B' ' 565' ' ' ASN . 9.6 mt -66.27 -43.12 87.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.821 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 1.7 m -78.12 -17.89 56.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.641 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -74.69 -17.37 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 111.489 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 10.1 mmt -92.22 11.04 27.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 558' ' ' GLY . . . . . 0.426 ' O ' ' HA2' ' A' ' 47' ' ' GLY . . . 74.4 84.84 0.3 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.557 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -144.04 156.34 44.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.603 0.239 . . . . 0.0 110.543 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 14.1 mt -110.5 -19.3 12.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.247 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 561' ' ' ASN . . . . . 0.423 ' HB3' ' OD1' ' B' ' 565' ' ' ASN . 6.7 t-20 -74.5 146.42 42.74 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.695 -178.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -121.5 -58.72 1.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.652 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -62.38 -53.7 51.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.474 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -56.19 -35.13 66.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.079 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 565' ' ' ASN . . . . . 0.474 ' HB3' HD13 ' B' ' 554' ' ' LEU . 5.4 m-20 -64.36 -43.79 93.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.019 0.438 . . . . 0.0 110.296 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 30.9 tp -64.7 -37.06 86.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.209 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -71.41 -42.67 68.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.842 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -56.26 -35.42 67.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.145 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.412 HD23 HD11 ' B' ' 554' ' ' LEU . 0.2 OUTLIER -72.47 -35.37 68.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.435 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 29.5 mm -73.57 -42.45 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -60.74 -30.63 70.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.523 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 6.5 p -89.62 -40.62 12.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.096 0.474 . . . . 0.0 110.831 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 99.48 7.77 53.54 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.389 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 136.17 -16.42 3.91 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.405 -0.902 . . . . 0.0 113.089 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -76.67 92.69 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.803 0.335 . . . . 0.0 110.623 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 25.1 mt -58.31 -49.52 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.833 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -58.47 -46.3 86.89 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -66.79 -31.66 72.44 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.719 0.295 . . . . 0.0 110.72 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -64.29 -55.24 22.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.748 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 77.8 mt -53.71 -42.21 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.185 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.52 -53.69 54.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.28 0.562 . . . . 0.0 110.064 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 582' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 582' ' ' ARG . 20.6 ttt180 -68.64 -35.18 76.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.091 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 30.4 tp -51.04 -41.54 59.91 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 584' ' ' LEU . . . . . 0.54 HD11 HG11 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -98.8 19.82 14.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.044 0.449 . . . . 0.0 111.07 -179.839 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -122.1 -59.0 0.21 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.408 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 13.9 m -153.63 159.62 42.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.865 0.364 . . . . 0.0 110.894 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 10.2 m . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.687 179.102 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.7 ptt? . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.925 0.393 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -91.6 151.82 20.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.312 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.6 pt -149.19 166.52 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.276 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -123.32 133.67 54.12 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 64.1 t -126.17 104.87 13.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.956 0.407 . . . . 0.0 110.12 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.641 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 13.0 tttp -101.66 121.14 41.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.957 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 71.7 p -74.98 168.76 19.33 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.696 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.451 HD22 HG13 ' A' ' 70' ' ' VAL . 15.3 tp -64.43 -24.61 67.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.099 0.476 . . . . 0.0 110.543 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 m -76.32 -22.09 55.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.254 0.55 . . . . 0.0 110.43 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.24 14.89 13.53 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.726 -0.75 . . . . 0.0 113.127 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.641 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 59.3 tttm -82.72 140.63 32.97 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -111.92 102.39 10.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.865 0.364 . . . . 0.0 110.589 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -98.21 121.58 48.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.079 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 m -92.84 125.55 37.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mp -139.06 175.06 9.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.037 0.446 . . . . 0.0 111.219 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -121.75 138.45 54.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.168 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.543 ' O ' ' HG2' ' A' ' 1' ' ' MET . 17.3 m -149.61 164.33 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 13.0 mm-40 -114.39 152.86 46.46 Favored Pre-proline 0 C--N 1.316 -0.891 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -58.43 -12.46 13.78 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.488 2.125 . . . . 0.0 112.64 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 m -104.55 12.5 33.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.343 . . . . 0.0 111.023 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.2 m-20 -78.75 158.51 28.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.01 0.433 . . . . 0.0 110.673 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.464 HG22 HG22 ' A' ' 55' ' ' THR . 7.2 p -108.38 162.62 13.94 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.77 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.6 mm -58.62 -42.92 86.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.061 0.458 . . . . 0.0 110.51 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.22 -40.73 96.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.916 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.451 ' HB2' ' OG1' ' A' ' 22' ' ' THR . 4.9 t30 -59.78 -40.06 86.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.1 t -66.93 -44.51 88.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -53.03 -39.8 63.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.621 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.72 93.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.864 0.364 . . . . 0.0 110.439 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 63.0 mttt -58.94 -48.12 82.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.093 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.6 mt -61.55 -40.68 87.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.589 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.56 -38.67 88.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.64 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.91 -45.82 80.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.233 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -66.57 -56.2 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.577 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -84.07 -77.7 0.25 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.796 0.332 . . . . 0.0 111.858 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.23 -12.37 1.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.795 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 mt -67.79 124.58 89.75 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.247 . . . . 0.0 110.616 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.06 139.75 92.12 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.851 2.367 . . . . 0.0 112.185 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -51.78 -26.62 24.33 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.314 2.676 . . . . 0.0 113.786 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -69.87 -23.95 63.34 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.121 0.486 . . . . 0.0 110.731 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -98.61 -0.93 42.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.233 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -93.99 142.5 27.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.072 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HD3' HD11 ' B' ' 584' ' ' LEU . 70.8 mtt180 -138.48 127.81 24.45 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.56 113.8 27.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.32 0.581 . . . . 0.0 111.418 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.484 HD11 HD13 ' B' ' 584' ' ' LEU . 3.5 mp -114.74 131.17 67.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.652 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -126.04 107.94 10.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.906 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.36 29.6 19.14 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.455 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.27 -19.83 52.32 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.267 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -82.03 125.22 30.56 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -77.39 123.36 26.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.579 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.4 mt -88.38 107.81 19.03 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.99 141.93 56.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.815 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -37.65 71.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.926 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.71 41.86 3.07 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.45 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.0 mmt-85 -133.89 167.29 20.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.041 0.448 . . . . 0.0 110.403 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.464 HG22 HG22 ' A' ' 22' ' ' THR . 81.7 p -112.26 171.95 7.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.344 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.6 mt -75.32 -11.82 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.178 0.514 . . . . 0.0 110.239 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -17.05 32.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.799 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.41 -52.44 39.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -93.44 7.32 45.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 57.41 64.64 1.54 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.1 mm -87.03 124.69 40.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.94 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -101.58 -177.85 3.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.898 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -79.83 156.3 27.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.939 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 63.48 26.62 14.89 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.439 0.462 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -85.33 154.53 21.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.5 m -106.99 105.69 15.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.136 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 3.7 mp -98.76 139.06 35.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.155 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.562 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 38.4 m80 -105.47 115.83 30.92 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.747 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 7' ' ' THR . 13.1 tp -98.42 109.66 22.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.996 0.427 . . . . 0.0 110.32 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.451 HG13 HD22 ' A' ' 8' ' ' LEU . 42.6 t -87.59 137.6 20.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.9 mt -107.35 102.3 11.6 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.87 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -83.65 101.01 11.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.126 0.489 . . . . 0.0 110.021 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.4 mt -76.57 129.68 36.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.542 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -83.02 -18.15 40.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.491 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.85 -163.96 38.48 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.011 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.973 0 CA-C-O 118.884 -0.953 . . . . 0.0 111.425 -179.874 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.619 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 1.7 m -122.04 82.93 44.1 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.757 0.313 . . . . 0.0 110.641 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -89.61 168.33 4.91 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 539' ' ' GLU . . . . . 0.489 ' HG3' ' HB2' ' B' ' 542' ' ' ASN . 3.1 pt-20 -92.53 127.89 38.19 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.012 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -72.48 -23.2 61.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.304 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -66.76 -29.01 68.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.12 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 542' ' ' ASN . . . . . 0.489 ' HB2' ' HG3' ' B' ' 539' ' ' GLU . 8.2 t-20 -63.32 123.72 81.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.708 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -61.46 -14.89 37.61 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.0 2.467 . . . . 0.0 113.036 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 544' ' ' GLU . . . . . 0.442 ' HG2' ' CG ' ' B' ' 542' ' ' ASN . 9.8 pt-20 -73.7 -31.51 63.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.986 0.422 . . . . 0.0 109.996 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.406 HG23 ' HG3' ' B' ' 544' ' ' GLU . 46.0 t -87.97 -51.65 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.335 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 546' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' B' ' 547' ' ' PHE . 35.4 mtm180 58.72 37.25 25.14 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.709 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 547' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 2.6 m-85 74.99 -24.23 0.22 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.526 0.73 . . . . 0.0 111.815 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . 0.42 ' H ' ' C ' ' B' ' 546' ' ' ARG . 6.2 mt-30 68.45 -51.24 0.56 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.99 0.916 . . . . 0.0 113.171 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -89.55 -43.64 10.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.988 -0.445 . . . . 0.0 110.886 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -63.69 -32.31 73.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.0 0.428 . . . . 0.0 110.434 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . 0.625 ' HA ' HD12 ' B' ' 554' ' ' LEU . 14.7 tp -71.52 -19.07 62.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.86 -33.16 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -81.1 -38.49 27.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.859 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . 0.751 HD13 ' HB3' ' B' ' 565' ' ' ASN . 20.6 mt -61.75 -41.13 97.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.133 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 9.5 m -77.35 -23.23 50.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.934 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -79.66 -9.7 59.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.144 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 5.9 mmt -105.42 11.63 32.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.875 0.369 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 74.62 75.69 0.78 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.124 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.68 119.35 8.02 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 29.1 mt -84.62 -10.85 56.97 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 561' ' ' ASN . . . . . 0.606 ' HB3' ' OD1' ' B' ' 565' ' ' ASN . 4.6 t-20 -74.8 148.81 40.01 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.62 -62.78 1.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.79 0.328 . . . . 0.0 111.697 -178.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.25 -53.22 59.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.638 -178.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -53.76 -37.26 63.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.423 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 565' ' ' ASN . . . . . 0.751 ' HB3' HD13 ' B' ' 554' ' ' LEU . 3.2 m-20 -63.47 -36.49 83.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.855 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.48 ' O ' HG12 ' B' ' 570' ' ' ILE . 49.2 tp -64.55 -34.64 78.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.338 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -74.23 -45.83 45.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.854 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.89 -35.34 70.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.906 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.99 -32.02 68.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.718 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.48 HG12 ' O ' ' B' ' 566' ' ' LEU . 40.5 mm -75.67 -40.86 40.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.095 0.474 . . . . 0.0 109.905 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.2 71.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.613 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 8.6 p -93.37 -38.19 11.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.39 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 88.83 25.88 28.44 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.656 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 122.02 -16.6 8.75 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.566 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.18 85.14 3.01 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.67 -47.15 92.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.633 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -59.54 -48.86 80.02 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.09 70.97 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.431 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -67.21 -58.22 5.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.436 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . 0.424 HD12 HD11 ' A' ' 8' ' ' LEU . 89.1 mt -56.5 -39.22 60.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.83 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -53.16 -58.66 6.28 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.227 0.537 . . . . 0.0 110.436 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -70.88 -35.94 72.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.081 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.23 -43.64 92.36 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 584' ' ' LEU . . . . . 0.484 HD13 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -69.02 -23.18 64.04 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.655 -179.533 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -80.1 -50.82 5.31 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.927 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 69.3 m -154.75 -101.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.832 -1.08 . . . . 0.0 108.912 179.653 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -94.83 149.3 21.39 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.509 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 pt -151.31 159.36 4.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.015 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -126.72 137.42 53.25 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.524 HG21 HD12 ' A' ' 15' ' ' LEU . 74.6 t -120.21 119.29 59.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.635 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 88.4 mttt -116.15 124.36 50.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.763 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 71.2 p -80.55 178.42 8.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.221 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.609 HD13 HG13 ' A' ' 70' ' ' VAL . 43.4 tp -61.36 -38.66 87.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.077 0.465 . . . . 0.0 110.415 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 m -70.22 -24.62 63.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.562 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.95 20.99 8.38 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.611 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.635 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 84.0 tttt -77.76 155.49 31.14 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.49 125.89 52.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.409 . . . . 0.0 111.115 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.4 mt -131.35 125.25 56.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.712 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.28 137.49 32.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.524 HD12 HG21 ' A' ' 5' ' ' VAL . 39.6 mt -141.29 174.79 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.05 0.452 . . . . 0.0 111.456 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -132.12 133.53 44.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -161.37 158.02 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.285 -178.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -101.12 153.68 37.62 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.26 -18.39 58.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.091 1.861 . . . . 0.0 111.598 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.38 -2.29 58.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.847 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.68 153.79 38.74 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.942 0.401 . . . . 0.0 110.635 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -92.03 159.71 15.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.685 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.406 HG23 HD12 ' A' ' 43' ' ' LEU . 24.0 mm -61.5 -40.25 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.545 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.13 -34.79 78.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.997 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.79 -42.13 96.95 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.857 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.73 -46.66 93.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.309 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -53.87 -36.5 62.71 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.425 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.27 87.34 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.143 0.497 . . . . 0.0 110.258 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -59.87 -44.81 93.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.926 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.408 HD13 HD22 ' A' ' 69' ' ' LEU . 82.2 mt -61.45 -41.43 89.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.487 178.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.61 -37.63 84.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.196 0.522 . . . . 0.0 110.231 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.34 -44.53 64.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.947 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -69.69 -64.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.189 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -78.97 -63.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.967 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.96 19.22 3.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.977 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 mt -94.21 128.17 41.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 34.5 Cg_exo -57.01 136.79 78.78 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.633 2.222 . . . . 0.0 111.938 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.6 Cg_exo -54.5 -26.51 45.42 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.136 2.557 . . . . 0.0 113.191 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.47 -20.73 62.04 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.877 0.37 . . . . 0.0 110.773 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -99.48 -3.09 34.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.088 0.47 . . . . 0.0 110.103 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -94.26 137.53 33.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.782 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -135.6 130.73 34.89 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.406 HD12 HG23 ' A' ' 23' ' ' ILE . 6.5 mt -106.4 112.96 26.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.338 0.59 . . . . 0.0 111.511 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.46 HD11 HD13 ' B' ' 584' ' ' LEU . 1.8 mp -108.0 123.87 63.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.644 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -127.67 111.61 13.91 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.287 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.74 35.74 16.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.878 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.46 -24.51 9.82 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.626 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -83.87 146.14 28.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.792 0.33 . . . . 0.0 110.712 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -94.38 134.11 37.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.859 0.361 . . . . 0.0 110.197 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.6 mt -89.14 126.44 35.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.66 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -73.32 137.74 44.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.747 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.36 -39.02 69.56 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.347 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.3 23.36 12.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.6 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -116.57 168.86 9.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.965 0.383 . . . . 0.0 110.438 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.6 p -109.4 166.89 10.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.11 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.3 mt -71.27 -9.48 58.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.027 0.442 . . . . 0.0 110.928 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -17.97 23.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.079 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.13 -40.52 86.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.469 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -101.28 5.63 42.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.377 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 t30 65.51 95.91 0.05 Allowed 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.576 0.548 . . . . 0.0 110.893 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.0 tp -93.65 123.73 45.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.143 0.496 . . . . 0.0 110.336 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.3 pm0 -97.97 155.85 16.9 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -71.79 143.68 49.44 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.367 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 64.23 38.33 8.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.818 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 p -88.26 163.11 16.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.942 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.5 m -111.72 98.65 7.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.211 0.529 . . . . 0.0 111.091 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.4 mt -80.42 122.9 27.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.234 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.467 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 72.3 m80 -100.38 110.87 23.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.903 0.382 . . . . 0.0 110.652 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 7' ' ' THR . 12.5 tp -96.48 103.21 15.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.053 0.454 . . . . 0.0 110.456 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.609 HG13 HD13 ' A' ' 8' ' ' LEU . 97.1 t -89.0 144.38 9.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.4 mt -114.43 138.81 50.1 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.29 117.52 30.43 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.394 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.6 mt -89.09 145.99 25.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.502 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -102.55 -40.07 6.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.324 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.82 -147.78 21.21 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.535 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.153 0 CA-C-O 118.668 -1.073 . . . . 0.0 111.246 -179.483 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.77 83.33 35.94 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-O 120.785 0.326 . . . . 0.0 110.643 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -86.08 148.94 9.35 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.674 2.25 . . . . 0.0 112.429 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 539' ' ' GLU . . . . . 0.417 ' HG3' ' HB2' ' B' ' 542' ' ' ASN . 3.4 pt-20 -71.71 134.8 46.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.861 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 540' ' ' PHE . . . . . 0.424 ' CD1' ' HA ' ' B' ' 547' ' ' PHE . 42.1 m-85 -82.56 -10.46 58.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.934 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -74.85 -25.15 58.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.449 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 542' ' ' ASN . . . . . 0.51 ' OD1' ' HD2' ' B' ' 543' ' ' PRO . 5.0 t-20 -64.35 126.51 90.63 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.931 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 543' ' ' PRO . . . . . 0.51 ' HD2' ' OD1' ' B' ' 542' ' ' ASN . 31.0 Cg_endo -64.14 -14.29 42.77 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.954 2.436 . . . . 0.0 113.081 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -85.43 -2.73 58.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.444 . . . . 0.0 110.379 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 58.7 t -115.77 -58.95 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.058 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 546' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' B' ' 551' ' ' LEU . 0.6 OUTLIER 57.01 49.48 13.79 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.742 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 547' ' ' PHE . . . . . 0.424 ' HA ' ' CD1' ' B' ' 540' ' ' PHE . 0.2 OUTLIER 74.87 -33.07 0.23 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.369 -179.473 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . 0.428 ' H ' ' C ' ' B' ' 546' ' ' ARG . 4.6 tt0 71.1 -45.69 0.62 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.686 0.794 . . . . 0.0 112.752 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -89.41 -51.03 5.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.687 0.28 . . . . 0.0 111.09 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -69.31 -24.17 63.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.089 0.471 . . . . 0.0 110.538 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 16.5 tp -61.49 -26.33 67.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.922 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -81.97 -6.43 59.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.788 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -97.53 -41.37 8.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.493 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.71 -42.92 32.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.386 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 5.9 m -69.14 -22.61 63.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.923 0.392 . . . . 0.0 110.564 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -67.42 -15.97 63.97 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 121.351 0.596 . . . . 0.0 110.684 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 17.3 mmt -88.29 14.72 8.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.34 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 89.44 -1.83 82.38 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.796 -0.638 . . . . 0.0 113.451 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -61.55 124.87 21.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.309 0.576 . . . . 0.0 111.475 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 21.0 mt -91.09 -9.31 46.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.82 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -85.95 164.61 17.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.582 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -133.72 -50.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.77 0.319 . . . . 0.0 110.787 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -61.09 -56.62 18.77 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.282 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.17 66.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.071 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -61.68 -40.51 95.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.349 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.588 ' O ' HG12 ' B' ' 570' ' ' ILE . 55.0 tp -67.34 -36.11 80.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.698 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -70.65 -43.94 68.15 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 568' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' B' ' 579' ' ' ALA . . . -58.24 -33.6 69.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.34 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.02 -36.09 64.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.613 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.588 HG12 ' O ' ' B' ' 566' ' ' LEU . 49.3 mm -74.34 -43.84 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.139 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -55.42 -44.19 76.02 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.941 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 8.3 p -77.36 -61.07 2.11 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.262 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 108.79 -7.61 33.65 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.724 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 174.01 -38.35 0.13 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.96 -1.114 . . . . 0.0 113.254 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -76.89 87.32 3.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.129 0.49 . . . . 0.0 110.561 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 576' ' ' ILE . . . . . 0.4 ' O ' HG13 ' B' ' 580' ' ' ILE . 23.3 mt -62.03 -36.08 72.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.96 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 577' ' ' ASN . . . . . 0.415 ' CG ' ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -61.13 -43.61 98.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.918 0.389 . . . . 0.0 110.634 179.424 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -66.51 -33.74 76.37 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.116 0.484 . . . . 0.0 109.944 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 579' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' B' ' 568' ' ' ALA . . . -61.72 -55.24 32.41 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.576 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 576' ' ' ILE . 73.8 mt -51.7 -40.12 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.545 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -56.37 -57.15 13.51 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.363 0.601 . . . . 0.0 110.794 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -68.99 -40.36 78.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.766 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 30.7 tp -60.46 -41.19 93.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.977 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 584' ' ' LEU . . . . . 0.46 HD13 HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -70.47 -31.43 68.57 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.63 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -64.37 -72.81 0.64 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.514 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 74.5 m -145.01 -87.47 0.11 Allowed 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.659 -0.318 . . . . 0.0 110.91 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.478 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptt? . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 120.866 0.365 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -110.75 156.6 20.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.431 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -147.92 173.34 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.113 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -117.53 136.62 53.12 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 13' ' ' ILE . 62.8 t -130.68 123.75 55.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.59 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 77.6 mttt -117.9 142.65 47.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -90.53 -165.17 1.29 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.021 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mt -66.74 -30.29 70.49 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.309 0.576 . . . . 0.0 110.266 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.14 -36.85 20.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.339 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.53 31.81 1.44 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.26 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.59 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 88.5 tttt -64.44 148.56 50.28 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.56 91.61 4.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.928 0.394 . . . . 0.0 110.256 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 37.0 mt -101.68 112.29 34.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.933 0.397 . . . . 0.0 111.237 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -87.18 122.99 31.72 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.667 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.465 HD12 HG21 ' A' ' 5' ' ' VAL . 11.4 mt -133.01 148.39 52.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.023 0.439 . . . . 0.0 111.333 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -99.1 133.26 43.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.322 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 m -152.55 -177.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -137.6 155.61 75.16 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -58.69 -33.16 98.13 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 121.848 1.699 . . . . 0.0 111.372 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -83.45 -0.72 51.32 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.483 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -74.08 142.75 45.62 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.008 0.433 . . . . 0.0 110.536 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 7.1 m -83.72 149.99 26.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.098 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.56 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 29.0 mm -59.32 -42.82 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.881 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.02 -35.23 74.61 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.05 0.452 . . . . 0.0 110.177 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 22' ' ' THR . 64.5 m-20 -60.1 -41.52 92.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.465 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 30' ' ' ILE . 41.3 t -63.7 -45.66 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 7.9 mmmm -52.66 -41.88 64.21 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.839 178.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.71 83.66 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.133 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.32 -45.01 92.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.632 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 26' ' ' VAL . 69.1 mt -60.94 -39.49 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.979 177.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -62.99 -36.74 84.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.295 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -69.53 -48.08 61.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.647 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -67.33 -55.84 12.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.008 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -86.39 -70.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.837 0.351 . . . . 0.0 111.441 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.92 -11.36 4.5 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.061 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.57 125.54 89.86 Favored Pre-proline 0 C--N 1.327 -0.382 0 C-N-CA 122.19 0.196 . . . . 0.0 110.658 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 78.1 Cg_exo -52.02 138.88 52.59 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.908 2.405 . . . . 0.0 112.153 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.4 Cg_exo -57.99 -26.4 74.76 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.915 2.41 . . . . 0.0 113.408 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.97 -17.0 61.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 111.314 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -101.96 1.27 36.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.319 0.58 . . . . 0.0 110.125 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.41 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 78.1 mt-30 -97.28 132.71 42.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.137 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.486 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 13.8 mmt180 -125.18 126.65 45.57 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.563 ' HB3' HD12 ' A' ' 50' ' ' LEU . 23.7 mt -105.8 109.91 22.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.223 0.535 . . . . 0.0 110.963 -178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -106.19 126.09 61.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.612 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -125.6 99.31 5.95 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.349 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' B' ' 560' ' ' LEU . . . 61.1 43.89 10.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.734 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.69 -31.2 3.98 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.65 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -78.89 123.11 26.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.766 0.317 . . . . 0.0 110.523 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -79.02 131.98 36.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.077 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 43' ' ' LEU . 45.2 mt -83.18 124.91 30.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.549 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -75.21 136.62 40.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.337 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.05 -30.36 70.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.631 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.0 20.7 38.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.215 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.9 mmt-85 -122.48 167.92 12.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.913 0.357 . . . . 0.0 110.077 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -110.5 167.96 9.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.756 0.312 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.5 mt -70.2 -10.39 58.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.259 0.552 . . . . 0.0 110.479 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.87 -24.78 24.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.758 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -38.17 82.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.248 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -90.82 4.54 51.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.97 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 59.85 83.43 0.13 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.769 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 tp -67.59 139.77 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.079 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -118.79 -177.63 3.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.951 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 pttp -82.53 150.3 27.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.11 41.72 20.08 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.592 0.557 . . . . 0.0 110.971 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.3 m -77.25 137.57 38.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.229 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -121.09 96.34 5.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.261 0.553 . . . . 0.0 111.182 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -75.89 128.79 35.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.482 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.415 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 51.1 m80 -105.27 117.65 34.54 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.075 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.3 tp -92.17 106.75 18.69 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.926 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.486 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 7.4 t -105.43 155.13 6.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.722 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.45 125.44 4.34 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -88.27 127.6 35.46 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.291 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 mt -72.59 156.56 38.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -100.23 -14.11 18.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.078 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.16 153.72 22.49 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.001 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 119.169 -0.795 . . . . 0.0 111.171 179.874 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.879 -0.489 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 1.5 m -119.98 85.19 34.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 120.665 0.269 . . . . 0.0 111.161 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -87.94 169.97 6.32 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.599 2.199 . . . . 0.0 111.544 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.45 124.07 33.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.83 0.347 . . . . 0.0 110.071 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 540' ' ' PHE . . . . . 0.417 ' CD1' ' HA ' ' B' ' 547' ' ' PHE . 21.1 m-85 -67.5 -18.9 65.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.481 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -22.9 66.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.243 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -68.87 126.13 92.5 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.08 -16.69 34.4 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.264 2.643 . . . . 0.0 113.611 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -79.0 -17.51 55.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.006 0.431 . . . . 0.0 110.174 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 13.1 t -101.26 -57.84 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.506 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 546' ' ' ARG . . . . . 0.459 ' C ' ' H ' ' B' ' 548' ' ' GLN . 16.0 mtm180 56.19 47.15 20.01 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.533 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 547' ' ' PHE . . . . . 0.42 ' CE2' HD12 ' B' ' 569' ' ' LEU . 0.2 OUTLIER 73.99 -31.18 0.21 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.205 -179.112 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . 0.459 ' H ' ' C ' ' B' ' 546' ' ' ARG . 19.7 tt0 69.04 -40.69 0.45 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.096 0.958 . . . . 0.0 113.455 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -92.91 -46.86 7.3 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.164 -0.335 . . . . 0.0 110.9 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -71.46 -24.95 62.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.138 0.494 . . . . 0.0 110.514 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.43 -22.1 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.958 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -88.46 -5.83 58.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.212 0.53 . . . . 0.0 109.911 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.0 -43.83 6.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.811 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 24.5 mt -69.57 -41.43 75.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.155 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 6.9 m -74.81 -12.61 60.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.018 0.437 . . . . 0.0 110.597 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -79.59 -15.72 57.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.298 0.571 . . . . 0.0 109.985 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 13.0 mmt -97.24 15.26 23.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.522 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 82.0 81.93 0.87 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.862 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -152.36 113.92 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 560' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 83.9 mt -80.62 -12.46 59.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.741 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -77.17 158.62 30.26 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -123.31 -50.53 1.89 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.668 0.271 . . . . 0.0 111.624 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -68.15 -47.3 68.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.872 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -51.08 -35.48 35.15 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.353 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.99 -41.81 99.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.93 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.449 ' O ' HG12 ' B' ' 570' ' ' ILE . 29.5 tp -65.31 -39.59 92.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.759 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -71.16 -44.7 64.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.128 0.489 . . . . 0.0 109.753 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.4 -37.21 72.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.871 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' B' ' 569' ' ' LEU . 0.5 OUTLIER -70.77 -37.41 73.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.573 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.449 HG12 ' O ' ' B' ' 566' ' ' LEU . 42.4 mm -73.96 -45.74 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.528 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.82 70.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.129 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 16.2 p -83.94 -33.82 24.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.866 0.365 . . . . 0.0 111.269 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 98.08 37.81 4.26 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.566 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 89.31 23.3 34.81 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.605 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 575' ' ' ASP . . . . . 0.41 ' HB3' ' HB3' ' B' ' 578' ' ' ALA . 7.3 t70 -113.47 100.72 8.74 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 576' ' ' ILE . . . . . 0.537 ' O ' HG13 ' B' ' 580' ' ' ILE . 11.3 mt -57.16 -56.55 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.368 -178.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -45.42 81.47 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . 0.41 ' HB3' ' HB3' ' B' ' 575' ' ' ASP . . . -62.34 -33.89 75.58 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.409 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -66.34 -49.19 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.82 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 576' ' ' ILE . 45.3 mt -53.85 -45.44 62.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.764 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 581' ' ' GLU . . . . . 0.475 ' HA ' HD23 ' B' ' 584' ' ' LEU . 46.7 mt-10 -62.1 -46.42 89.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.268 0.556 . . . . 0.0 110.377 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -66.65 -35.6 80.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.547 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 14.0 tp -71.03 -33.81 70.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.854 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 584' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' B' ' 581' ' ' GLU . 0.3 OUTLIER -66.89 -24.0 66.06 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.07 0.462 . . . . 0.0 109.767 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -84.82 -62.87 1.65 Allowed Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 9.6 m -153.46 -81.15 0.09 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.859 0.361 . . . . 0.0 110.349 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 54.6 m . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.308 -0.853 . . . . 0.0 109.315 -179.883 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.585 ' SD ' ' HG2' ' A' ' 63' ' ' LYS . 27.0 ptt? . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.982 0.42 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -96.75 154.33 17.35 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.355 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.6 pt -150.33 169.94 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.983 0.421 . . . . 0.0 110.109 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -124.75 138.08 54.3 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.399 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 89.8 t -121.9 109.75 25.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 25.5 tttp -111.4 121.02 44.13 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.213 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.527 HG22 ' HB3' ' A' ' 69' ' ' LEU . 77.6 p -87.04 164.26 16.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.642 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.44 ' CD2' HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -66.4 -19.78 65.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 179.253 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -5.41 50.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.11 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.28 20.75 34.5 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.287 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 33.0 tttm -96.28 138.77 33.39 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.6 m -124.18 113.66 18.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.995 0.426 . . . . 0.0 110.163 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -117.45 134.6 60.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.348 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -94.33 126.36 39.53 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.16 167.34 20.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.941 0.4 . . . . 0.0 111.287 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -118.25 139.44 51.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.79 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.401 ' HA ' ' NZ ' ' A' ' 29' ' ' LYS . 13.5 m -149.26 175.54 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 15.6 mm-40 -121.57 158.02 55.07 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.0 -27.82 86.1 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.335 2.023 . . . . 0.0 112.115 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -99.16 20.92 12.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.182 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.61 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -79.26 140.85 37.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.975 0.417 . . . . 0.0 110.857 -179.565 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -85.47 148.36 26.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.376 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 54' ' ' ARG . 47.8 mm -55.68 -43.44 73.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 121.109 0.481 . . . . 0.0 110.324 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.34 -36.81 84.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.674 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -62.83 -38.69 91.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.261 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.2 t -64.89 -46.22 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -52.49 -42.0 63.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.217 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.72 97.57 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.022 0.439 . . . . 0.0 110.234 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' A' ' 17' ' ' VAL . 95.1 mttt -60.61 -46.47 90.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.691 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -61.06 -39.91 83.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.212 177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -62.03 -35.08 77.5 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.351 0.596 . . . . 0.0 110.19 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -71.73 -47.82 51.28 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.465 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -66.47 -60.18 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.304 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -85.07 -56.35 3.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.94 -5.42 9.02 Favored Glycine 0 C--N 1.321 -0.254 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.094 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.2 mt -71.25 126.04 91.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 40.8 Cg_exo -56.83 139.75 89.8 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.619 2.212 . . . . 0.0 111.879 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.3 Cg_exo -55.14 -25.34 45.39 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.023 2.482 . . . . 0.0 113.071 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -72.52 -22.79 60.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.14 0.495 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -97.6 4.11 50.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.439 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -102.25 129.9 48.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.75 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -124.42 131.58 53.5 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mt -109.88 118.12 35.63 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -112.66 120.4 62.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.646 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -128.54 111.96 13.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.517 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.87 43.83 26.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.772 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.07 2.82 83.77 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.203 -0.522 . . . . 0.0 113.439 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -113.01 124.91 53.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.998 0.399 . . . . 0.0 110.798 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -79.96 120.66 24.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.118 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -81.37 120.85 25.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.136 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.44 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 50.0 mt-10 -81.01 148.47 29.72 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.67 -35.79 73.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.857 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.64 37.74 3.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.204 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.44 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 25.9 mmt180 -134.1 170.58 15.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.855 0.359 . . . . 0.0 110.161 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.6 p -120.08 169.97 9.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.06 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.516 HD22 HD12 ' A' ' 61' ' ' ILE . 65.1 mt -70.43 -13.2 62.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.298 0.57 . . . . 0.0 110.192 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -26.18 30.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -64.24 -42.84 96.34 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.367 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -94.93 4.59 53.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 54.37 61.08 3.18 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.818 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.516 HD12 HD22 ' A' ' 56' ' ' LEU . 62.7 mt -83.38 126.76 40.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.467 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -80.66 -179.24 7.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.969 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 50.7 mtmt -88.65 151.34 22.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.849 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 61.19 39.18 16.14 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.499 0.666 . . . . 0.0 109.847 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.6 m -89.81 158.06 17.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.065 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.3 m -110.25 110.74 21.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.581 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 5.7 mp -102.64 140.78 36.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.133 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 76.3 m80 -106.6 116.33 31.73 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.527 ' HB3' HG22 ' A' ' 7' ' ' THR . 13.4 tp -91.07 129.4 37.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.272 0.558 . . . . 0.0 110.397 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.44 HG13 ' CD2' ' A' ' 8' ' ' LEU . 65.1 t -110.73 138.06 40.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.678 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.8 mt -99.23 -172.33 2.25 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -146.39 99.32 3.21 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.064 0.459 . . . . 0.0 110.115 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.9 mt -78.11 87.66 4.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.035 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -71.45 -24.15 61.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.313 0.578 . . . . 0.0 109.491 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.53 137.75 11.5 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.248 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.813 -0.993 . . . . 0.0 111.495 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.842 0 N-CA-C 111.799 -0.52 . . . . 0.0 111.799 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.81 78.47 69.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.873 0.368 . . . . 0.0 110.943 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -89.09 170.06 5.02 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.562 2.175 . . . . 0.0 112.657 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -85.21 135.12 34.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.276 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -77.06 -15.36 59.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.069 0.461 . . . . 0.0 110.219 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -66.86 -23.3 66.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.314 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 542' ' ' ASN . . . . . 0.47 ' OD1' ' HG2' ' B' ' 544' ' ' GLU . 32.2 t-20 -73.44 123.01 89.03 Favored Pre-proline 0 C--O 1.237 0.397 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.344 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.49 -28.72 37.16 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.528 2.818 . . . . 0.0 113.813 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 544' ' ' GLU . . . . . 0.47 ' HG2' ' OD1' ' B' ' 542' ' ' ASN . 9.1 pt-20 -65.71 -32.44 74.0 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.452 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 40.5 t -81.79 -53.74 11.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.822 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 546' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 59.7 37.21 22.34 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.973 0.416 . . . . 0.0 110.27 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 547' ' ' PHE . . . . . 0.45 ' HB3' ' HB2' ' B' ' 550' ' ' GLN . 0.2 OUTLIER 73.96 -6.99 1.71 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.263 -179.148 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 65.37 -63.28 0.2 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -91.1 -37.29 13.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 550' ' ' GLN . . . . . 0.45 ' HB2' ' HB3' ' B' ' 547' ' ' PHE . 15.3 mm100 -66.95 -29.08 68.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 111.136 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 14.1 tp -64.74 -22.7 67.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.508 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -78.6 -16.43 57.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.184 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -93.3 -40.91 10.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.372 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 4.3 mt -69.83 -40.46 75.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.637 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 13.3 m -74.58 -18.92 60.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.48 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.47 -15.22 63.22 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.331 0.586 . . . . 0.0 110.229 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 557' ' ' MET . . . . . 0.534 ' HG3' HD13 ' B' ' 580' ' ' ILE . 47.6 mmm -94.64 12.57 27.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.305 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 71.73 70.04 1.28 Allowed Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.488 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -125.74 133.53 52.05 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 19.4 mt -94.95 -10.37 31.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.783 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -83.35 157.45 22.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 73.8 mmt-85 -129.47 -50.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.622 0.248 . . . . 0.0 111.198 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -64.67 -49.64 70.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.213 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 564' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' B' ' 583' ' ' LEU . . . -58.65 -36.62 74.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.02 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.29 -43.84 98.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.327 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.653 ' O ' HG12 ' B' ' 570' ' ' ILE . 65.6 tp -68.39 -35.78 78.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.891 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -69.7 -45.7 67.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.488 0.661 . . . . 0.0 109.698 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -58.75 -32.6 69.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.672 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.486 ' HA ' HD22 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -74.24 -35.19 63.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.567 179.607 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.653 HG12 ' O ' ' B' ' 566' ' ' LEU . 44.4 mm -71.11 -42.98 75.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -60.3 -35.98 76.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.716 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 4.7 p -85.07 -44.26 13.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.853 0.359 . . . . 0.0 111.352 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 96.24 2.91 60.37 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.422 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 147.08 -24.34 1.59 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.291 -0.956 . . . . 0.0 112.877 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.82 85.64 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.167 0.508 . . . . 0.0 110.131 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 31.1 mt -58.0 -42.94 83.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.693 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -45.31 94.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.481 0.181 . . . . 0.0 111.374 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -65.04 -35.42 81.1 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.814 0.34 . . . . 0.0 110.251 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -61.04 -57.26 13.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.988 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . 0.534 HD13 ' HG3' ' B' ' 557' ' ' MET . 64.7 mt -52.48 -43.96 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.05 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -61.73 -53.3 57.91 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.944 0.402 . . . . 0.0 111.471 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -69.94 -35.86 74.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.039 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . 0.453 HD11 ' HB1' ' B' ' 564' ' ' ALA . 59.8 tp -56.37 -49.15 75.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 584' ' ' LEU . . . . . 0.404 ' CD2' HG11 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -73.59 -26.08 60.64 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.705 -179.386 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -73.87 -41.68 40.62 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.003 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 49.7 m -153.05 -78.83 0.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 C--O 1.246 0.904 0 CA-C-O 117.672 -1.156 . . . . 0.0 108.891 -179.607 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.651 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 22.6 ptt? . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -88.12 150.77 23.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.684 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.467 HG12 HG22 ' A' ' 17' ' ' VAL . 2.7 pt -152.53 178.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -131.28 135.71 47.55 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.529 HG21 HD12 ' A' ' 15' ' ' LEU . 61.0 t -118.09 106.06 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.638 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 24.7 mtpp -106.29 121.17 43.66 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.671 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 74.5 p -79.38 159.86 26.93 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.434 HD22 ' H ' ' A' ' 71' ' ' LEU . 2.4 pt? -59.36 -26.69 65.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.042 0.448 . . . . 0.0 110.556 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -14.97 63.04 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.583 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.05 32.57 6.39 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.065 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.638 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 84.6 tttt -108.1 149.22 28.76 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m -123.99 114.66 20.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.092 0.472 . . . . 0.0 111.688 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mp -112.52 126.62 69.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.111 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.63 143.6 30.88 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.529 HD12 HG21 ' A' ' 5' ' ' VAL . 15.3 mt -152.13 164.05 38.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.933 0.397 . . . . 0.0 111.525 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.34 136.51 53.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.651 ' O ' ' HG2' ' A' ' 1' ' ' MET . 2.8 m -155.84 154.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 53.7 mm-40 -107.53 155.7 39.17 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.51 -26.85 56.47 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.152 1.901 . . . . 0.0 112.278 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.07 6.11 47.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.975 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -76.69 146.56 38.0 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.584 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -84.61 152.67 23.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.462 -179.644 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 54' ' ' ARG . 48.3 mm -62.1 -41.35 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.17 0.51 . . . . 0.0 110.051 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -65.53 -37.99 88.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.979 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' HB2' ' OG1' ' A' ' 22' ' ' THR . 17.9 t30 -60.04 -38.24 82.15 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.911 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 22' ' ' THR . 49.7 t -66.25 -44.4 91.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -53.9 -38.1 64.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.936 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.28 -41.35 94.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.025 0.44 . . . . 0.0 109.901 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -60.79 -44.66 96.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.731 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.91 -37.48 78.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.019 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.414 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.2 tt0 -64.82 -34.76 79.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.194 0.521 . . . . 0.0 109.79 177.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -69.88 -46.88 64.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.294 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -72.23 -58.99 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.954 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -86.68 -52.28 5.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 111.66 19.65 7.29 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.152 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.2 mt -93.49 130.61 34.79 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.71 132.87 42.18 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.44 2.093 . . . . 0.0 111.76 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -51.11 -24.57 14.92 Favored 'Trans proline' 0 N--CA 1.476 0.465 0 C-N-CA 123.609 2.872 . . . . 0.0 114.079 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.36 -24.04 61.22 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.406 0.622 . . . . 0.0 110.713 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -98.74 -1.32 40.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.121 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -94.46 128.15 40.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.724 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -123.01 125.07 44.54 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.5 mt -107.1 113.98 27.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.117 0.484 . . . . 0.0 110.891 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.35 130.25 68.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.821 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -131.92 119.84 21.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.694 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.412 ' O ' ' HG ' ' B' ' 560' ' ' LEU . . . 63.41 14.51 7.99 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.646 0.591 . . . . 0.0 111.765 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.95 -6.9 48.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.616 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -104.94 133.36 49.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.565 0.221 . . . . 0.0 110.465 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -81.19 127.88 33.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -80.19 121.72 25.95 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.107 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.75 144.25 55.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.609 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.38 -40.93 83.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.63 45.92 3.51 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.813 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' O ' HG12 ' A' ' 23' ' ' ILE . 65.5 mmt-85 -139.81 170.56 15.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.6 p -120.5 170.31 9.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.141 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD22 HG13 ' A' ' 61' ' ' ILE . 57.7 mt -72.32 -5.93 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.219 0.533 . . . . 0.0 110.782 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -19.04 26.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.668 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -70.68 -50.58 35.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.898 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -90.63 3.54 53.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.4 t30 57.49 83.7 0.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.367 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.42 HG13 HD22 ' A' ' 56' ' ' LEU . 44.8 mm -95.96 125.52 48.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.221 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -89.87 -177.94 5.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.012 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 tmmt? -80.76 142.49 33.73 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 61.57 36.17 16.98 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.418 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.6 m -79.66 153.78 29.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.321 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -96.7 90.05 5.16 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.141 0.496 . . . . 0.0 111.323 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -84.0 130.57 34.88 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.588 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 58.3 m80 -104.72 116.4 31.96 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 7' ' ' THR . 19.4 tp -94.31 112.11 23.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.517 HG11 HD21 ' B' ' 584' ' ' LEU . 23.8 t -100.14 142.72 14.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.133 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.434 ' H ' HD22 ' A' ' 8' ' ' LEU . 8.8 mt -130.57 116.26 17.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.506 ' HD3' ' OE1' ' B' ' 581' ' ' GLU . 0.0 OUTLIER -84.15 114.95 22.15 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.4 mt -80.41 135.58 36.19 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.068 0.461 . . . . 0.0 110.991 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -89.47 -34.58 16.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.675 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.36 -143.08 13.99 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.19 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 119.037 -0.868 . . . . 0.0 111.418 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 17.0 m -141.43 82.66 14.13 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.917 0.389 . . . . 0.0 110.253 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -84.21 172.93 9.22 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.902 2.401 . . . . 0.0 112.1 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -93.21 124.87 37.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.919 0.39 . . . . 0.0 110.063 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -66.75 -12.95 60.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.289 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -72.68 -23.27 60.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.523 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.14 126.72 92.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.403 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 543' ' ' PRO . . . . . 0.415 ' O ' ' HG3' ' B' ' 546' ' ' ARG . 36.5 Cg_endo -65.47 -12.76 36.47 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.678 2.252 . . . . 0.0 112.795 -179.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.42 -27.44 31.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.874 0.369 . . . . 0.0 110.425 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 56.6 t -75.59 -49.73 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.002 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 546' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' B' ' 543' ' ' PRO . 8.5 mtm180 57.97 28.1 15.72 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.289 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 73.16 -20.62 0.28 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.557 0.743 . . . . 0.0 112.203 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' B' ' 546' ' ' ARG . 26.0 mt-30 70.28 -48.68 0.64 Allowed 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 178.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -97.66 -41.86 7.92 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -176.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -68.94 -39.3 79.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 2.0 tp -68.06 -18.68 64.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.688 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -76.8 -20.37 56.49 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -94.91 -34.04 12.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.391 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 29.9 mt -72.9 -41.17 64.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.983 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 6.0 t -68.28 -24.91 64.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.305 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -76.1 -27.05 56.99 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.216 0.531 . . . . 0.0 109.743 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 20.7 mmt -82.13 -3.31 54.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.497 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 86.67 99.74 0.8 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.856 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -152.59 149.89 28.94 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 560' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 32.2 mt -113.56 -27.83 7.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.716 0.294 . . . . 0.0 111.653 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -89.57 98.75 11.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.294 0.569 . . . . 0.0 110.633 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -66.32 -43.91 84.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.027 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -63.19 -51.38 66.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.072 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 564' ' ' ALA . . . . . 0.405 ' HB1' HD11 ' B' ' 583' ' ' LEU . . . -55.46 -36.25 66.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.217 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -62.2 -41.8 98.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.056 0.455 . . . . 0.0 110.584 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 56.0 tp -65.99 -36.85 84.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.384 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -73.14 -45.62 55.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.165 0.507 . . . . 0.0 110.04 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.04 -37.33 71.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.9 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' B' ' 569' ' ' LEU . 0.4 OUTLIER -70.88 -36.14 72.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.778 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 33.5 mm -75.13 -43.77 44.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.27 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.11 70.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.884 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.406 HG21 ' N ' ' B' ' 579' ' ' ALA . 16.3 p -89.78 -9.6 48.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.767 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 79.43 16.32 78.24 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.998 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . 0.445 ' HA2' HD13 ' B' ' 569' ' ' LEU . . . 114.9 -9.85 21.12 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.311 -0.947 . . . . 0.0 113.162 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -75.1 98.5 3.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.001 0.429 . . . . 0.0 110.56 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 576' ' ' ILE . . . . . 0.412 ' O ' HG13 ' B' ' 580' ' ' ILE . 66.6 mt -56.98 -50.96 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.999 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -47.51 81.58 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -62.13 -34.58 76.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.392 . . . . 0.0 110.492 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 579' ' ' ALA . . . . . 0.406 ' N ' HG21 ' B' ' 572' ' ' THR . . . -63.64 -51.95 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.597 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 576' ' ' ILE . 69.1 mt -52.95 -48.05 52.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.163 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 581' ' ' GLU . . . . . 0.506 ' OE1' ' HD3' ' A' ' 72' ' ' ARG . 25.5 mt-10 -59.5 -51.72 68.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.161 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -67.69 -38.62 83.94 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . 0.405 HD11 ' HB1' ' B' ' 564' ' ' ALA . 14.0 tp -60.88 -42.29 97.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -177.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 584' ' ' LEU . . . . . 0.517 HD21 HG11 ' A' ' 70' ' ' VAL . 2.4 pp -97.08 -2.48 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.283 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -73.49 -75.79 0.72 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.445 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 73.2 m -140.2 -76.33 0.33 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.857 0.361 . . . . 0.0 110.386 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.247 0.927 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.421 179.921 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 120.839 0.352 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -101.53 154.74 18.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.001 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.6 pt -148.2 175.11 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.828 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -125.73 139.36 53.6 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 12' ' ' THR . 76.7 t -127.79 127.68 68.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.822 0.344 . . . . 0.0 110.574 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.72 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 24.6 mtpp -125.29 129.92 50.97 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -80.51 178.02 8.6 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.974 0.416 . . . . 0.0 111.662 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.448 ' HG ' ' ND2' ' B' ' 577' ' ' ASN . 35.9 tp -61.67 -28.34 69.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.651 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.89 -44.68 22.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.719 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.4 9.28 1.63 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.609 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.72 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 77.8 tttt -68.59 149.85 48.7 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 1.4 m -120.74 122.99 41.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.859 0.362 . . . . 0.0 111.081 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.2 mt -122.79 125.15 71.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -85.99 128.52 34.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.075 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.1 157.28 46.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.153 0.501 . . . . 0.0 111.733 -179.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -112.43 136.3 52.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.037 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 m -148.79 -179.46 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.523 ' O ' HD12 ' A' ' 56' ' ' LEU . 15.8 mm-40 -123.21 157.24 61.71 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -58.1 -36.21 98.12 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.384 2.056 . . . . 0.0 112.084 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -95.56 16.7 16.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.415 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.419 ' HB2' ' H ' ' A' ' 18' ' ' GLU . 6.9 t0 -77.52 134.42 38.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.052 0.453 . . . . 0.0 110.34 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.21 146.78 38.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.348 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.573 HG23 HD12 ' A' ' 43' ' ' LEU . 35.8 mm -54.81 -42.05 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.695 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -57.06 -42.03 79.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.655 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -59.17 -42.6 91.18 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.222 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 30' ' ' ILE . 18.5 t -63.05 -48.65 86.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.762 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -55.27 -39.21 69.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.231 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.04 94.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.172 0.511 . . . . 0.0 109.829 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.74 -46.71 88.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.625 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 26' ' ' VAL . 72.0 mt -59.08 -40.12 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.333 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.27 -34.05 77.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.122 0.487 . . . . 0.0 110.545 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -68.0 -45.98 72.58 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.294 0.568 . . . . 0.0 110.201 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -71.66 -60.51 2.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.463 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -80.88 -55.64 4.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.28 3.01 15.32 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.967 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 mt -75.69 124.05 88.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 46.5 Cg_exo -56.65 137.86 82.65 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.478 2.118 . . . . 0.0 111.683 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.3 Cg_exo -55.4 -27.09 56.63 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.994 2.463 . . . . 0.0 112.953 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -72.22 -16.1 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.232 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -109.04 1.97 20.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.011 0.434 . . . . 0.0 110.613 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -95.85 119.27 34.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.0 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 63.1 mtt180 -118.04 127.86 54.21 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.573 HD12 HG23 ' A' ' 23' ' ' ILE . 30.4 mt -106.06 112.15 25.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.378 0.608 . . . . 0.0 111.572 -177.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -107.38 131.44 57.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -138.72 121.93 16.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.534 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.26 30.71 19.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.741 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.409 ' CA ' ' HA ' ' B' ' 559' ' ' PHE . . . 80.79 11.84 83.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.299 179.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -124.77 149.52 47.26 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.505 ' HB3' HD11 ' B' ' 584' ' ' LEU . 8.1 pt20 -88.89 135.73 33.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.074 0.464 . . . . 0.0 111.024 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.2 mt -94.89 124.53 38.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.572 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 42.3 mt-10 -76.76 145.58 38.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.711 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -63.26 -31.86 73.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.818 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.29 22.21 10.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.907 -0.663 . . . . 0.0 113.579 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.483 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 32.0 mmt180 -122.38 164.04 18.7 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.0 p -109.86 170.18 8.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.25 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 18' ' ' GLU . 59.4 mt -70.69 -9.75 57.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.296 0.57 . . . . 0.0 110.182 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.5 -23.44 20.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.328 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.28 -43.54 94.49 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.354 0.597 . . . . 0.0 111.054 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -92.44 5.8 49.41 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.059 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.4 m120 55.23 41.68 31.17 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.329 0.585 . . . . 0.0 110.46 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.5 mt -69.19 130.27 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.847 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.46 169.48 13.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.982 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -72.79 163.79 27.57 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 58.29 33.84 23.51 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 123.578 0.549 . . . . 0.0 110.454 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.61 154.38 32.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.95 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -108.83 85.85 2.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.261 0.553 . . . . 0.0 110.621 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.55 127.99 34.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.91 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.633 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 45.8 m80 -105.56 117.28 33.61 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.225 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 42' ' ' ARG . 13.9 tp -88.78 101.71 14.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.613 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.0 t -86.19 139.06 17.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.242 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.462 ' O ' ' HG2' ' B' ' 581' ' ' GLU . 25.1 mt -114.49 173.62 6.37 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -132.23 116.62 17.18 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.9 mt -72.85 113.12 9.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.335 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -91.93 -13.61 30.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.106 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.67 132.34 5.56 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.475 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.311 -1.272 . . . . 0.0 111.676 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 112.13 -0.388 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 12.1 m -142.7 91.15 7.5 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 122.637 -0.331 . . . . 0.0 110.578 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -87.36 171.72 6.28 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 122.833 2.355 . . . . 0.0 111.873 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 539' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' B' ' 542' ' ' ASN . 3.3 pt-20 -83.5 128.19 34.32 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -70.52 -18.7 62.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -69.45 -22.54 63.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.837 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 542' ' ' ASN . . . . . 0.466 ' HB2' ' HG3' ' B' ' 539' ' ' GLU . 6.0 t-20 -66.22 123.25 84.81 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.011 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.36 -12.98 35.69 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.868 2.379 . . . . 0.0 112.63 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 544' ' ' GLU . . . . . 0.427 ' HG2' ' CG ' ' B' ' 542' ' ' ASN . 10.1 pt-20 -78.95 -14.42 59.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.173 0.511 . . . . 0.0 109.766 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 47.1 t -109.53 -55.28 5.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 546' ' ' ARG . . . . . 0.545 ' HA ' HD13 ' B' ' 566' ' ' LEU . 3.5 mtm180 59.36 44.12 15.65 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.049 -179.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 547' ' ' PHE . . . . . 0.429 ' C ' ' H ' ' B' ' 549' ' ' GLN . 2.6 m-85 74.21 -33.06 0.24 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.806 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . 0.411 ' H ' ' C ' ' B' ' 546' ' ' ARG . 4.1 tt0 70.79 -33.59 0.27 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.824 0.85 . . . . 0.0 112.144 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 549' ' ' GLN . . . . . 0.429 ' H ' ' C ' ' B' ' 547' ' ' PHE . 13.4 mm100 -95.01 -49.23 5.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.002 0.43 . . . . 0.0 110.546 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.14 -34.66 76.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.254 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 14.4 tp -66.61 -16.03 63.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.134 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' B' ' 549' ' ' GLN . 45.9 tp10 -80.92 -26.0 37.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.774 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -93.05 -35.56 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.889 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 30.1 mt -64.82 -38.61 91.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.148 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 5.2 m -82.53 -11.15 58.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.565 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -76.94 -24.38 52.38 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.646 0.736 . . . . 0.0 109.199 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 20.2 mmt -92.24 7.34 43.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.498 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 82.23 88.84 0.67 Allowed Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.967 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 559' ' ' PHE . . . . . 0.409 ' HA ' ' CA ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER -152.21 123.49 7.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.636 0.255 . . . . 0.0 110.515 -179.773 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 92.2 mt -95.05 -12.23 26.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.772 0.32 . . . . 0.0 110.97 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 561' ' ' ASN . . . . . 0.432 ' HB3' ' OD1' ' B' ' 565' ' ' ASN . 5.3 t-20 -67.9 145.32 54.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.199 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -116.58 -65.8 1.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.609 0.225 . . . . 0.0 111.609 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -57.53 -59.41 5.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.867 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 564' ' ' ALA . . . . . 0.608 ' HB1' HD11 ' B' ' 583' ' ' LEU . . . -51.06 -37.53 46.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.877 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 565' ' ' ASN . . . . . 0.432 ' OD1' ' HB3' ' B' ' 561' ' ' ASN . 5.1 m-20 -61.52 -39.11 89.84 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.039 0.447 . . . . 0.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.545 HD13 ' HA ' ' B' ' 546' ' ' ARG . 42.0 tp -68.04 -40.13 82.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.853 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -72.13 -40.04 68.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.201 0.524 . . . . 0.0 109.897 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -59.28 -37.01 76.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.363 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.487 ' HA ' HD22 ' B' ' 569' ' ' LEU . 0.5 OUTLIER -71.28 -38.78 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.106 179.477 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.416 HG12 ' O ' ' B' ' 566' ' ' LEU . 33.4 mm -67.03 -46.11 85.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.046 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -59.09 -33.95 71.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.483 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.427 HG21 ' N ' ' B' ' 579' ' ' ALA . 10.4 p -89.92 -27.03 20.12 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 83.46 20.42 60.28 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.7 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 122.95 -18.2 8.0 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.24 -0.981 . . . . 0.0 113.684 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -75.34 92.43 2.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.173 0.511 . . . . 0.0 110.461 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 42.9 mt -55.67 -47.98 78.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.109 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 577' ' ' ASN . . . . . 0.448 ' ND2' ' HG ' ' A' ' 8' ' ' LEU . 7.1 m120 -57.88 -46.39 84.95 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -63.1 -37.08 85.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.949 0.404 . . . . 0.0 110.54 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 579' ' ' ALA . . . . . 0.427 ' N ' HG21 ' B' ' 572' ' ' THR . . . -62.49 -55.4 27.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.786 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 91.7 mt -52.93 -44.3 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.224 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 581' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 44.8 mt-10 -60.41 -56.49 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.463 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 19.7 ttt85 -63.83 -37.04 85.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.978 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . 0.608 HD11 ' HB1' ' B' ' 564' ' ' ALA . 17.6 tp -70.62 -15.76 62.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.717 -178.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 584' ' ' LEU . . . . . 0.505 HD11 ' HB3' ' A' ' 49' ' ' GLN . 19.3 tp -73.76 -28.46 61.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.925 0.393 . . . . 0.0 110.748 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -109.07 -38.85 1.77 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.508 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 586' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' B' ' 583' ' ' LEU . 13.0 m -133.74 -158.04 0.85 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.736 0.303 . . . . 0.0 110.384 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.446 -0.787 . . . . 0.0 109.468 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.783 0.325 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -105.16 155.73 18.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.768 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.7 pt -147.27 169.66 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.088 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -121.77 135.93 54.93 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.471 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 58.9 t -124.24 124.06 67.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.655 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 93.1 mttt -117.38 122.62 44.34 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.454 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.87 -177.73 6.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.99 -29.15 67.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.625 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -84.89 3.45 38.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.25 31.22 57.59 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.191 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.655 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 73.9 tttt -78.11 156.89 29.7 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -117.01 94.84 4.74 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.839 0.352 . . . . 0.0 110.59 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.3 mt -101.24 118.86 48.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.254 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.95 132.18 36.11 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.067 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.19 163.94 31.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.103 0.478 . . . . 0.0 111.443 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -112.54 135.22 53.5 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.379 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.1 m -146.82 -177.25 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.235 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 14.8 mm-40 -133.63 159.34 72.87 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.97 -30.35 91.49 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.12 1.88 . . . . 0.0 111.113 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.03 26.86 4.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.965 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -91.06 137.47 32.34 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.301 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 26' ' ' VAL . 37.5 p -87.43 152.54 22.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.2 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.6 mm -59.06 -37.56 68.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.91 0.386 . . . . 0.0 110.129 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -61.3 -40.21 93.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.749 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -66.8 -39.71 87.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.578 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 22' ' ' THR . 40.0 t -62.61 -49.97 81.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -54.08 -35.88 62.54 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.961 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.51 92.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.139 0.495 . . . . 0.0 110.387 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -60.54 -49.75 76.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.308 178.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.2 mt -60.68 -37.48 75.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.166 0.508 . . . . 0.0 110.143 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -61.38 -37.09 82.14 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.436 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.95 -46.7 50.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.471 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -65.87 -65.91 0.62 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.655 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -78.42 -52.42 8.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.722 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.45 -1.6 14.1 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.925 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.401 ' H ' HG13 ' A' ' 36' ' ' ILE . 14.9 mt -69.45 127.51 92.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.55 132.66 36.39 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.474 2.116 . . . . 0.0 111.648 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -52.01 -32.27 47.67 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.089 2.526 . . . . 0.0 113.341 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -69.11 -14.38 62.97 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.198 0.523 . . . . 0.0 111.234 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -109.52 4.04 21.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.066 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -104.31 123.4 47.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.411 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.429 ' O ' HD12 ' A' ' 69' ' ' LEU . 77.4 mtt180 -122.24 135.49 54.76 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HB3' HD12 ' A' ' 50' ' ' LEU . 17.2 mt -110.57 121.17 44.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.224 0.535 . . . . 0.0 112.398 -177.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.68 129.9 66.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.743 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -130.77 109.51 10.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.762 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.74 20.7 10.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.906 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.82 -4.66 49.99 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.816 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -99.61 138.29 36.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.526 0.203 . . . . 0.0 110.503 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -87.94 118.69 27.66 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' A' ' 43' ' ' LEU . 12.8 mt -80.52 119.71 23.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.128 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.492 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 14.4 mt-10 -77.1 149.94 35.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.433 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -47.27 82.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.9 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.4 45.03 2.99 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.261 -0.495 . . . . 0.0 113.571 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.492 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.6 mmt180 -132.51 164.76 25.88 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 21.2 p -113.67 159.53 19.58 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.264 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.3 mt -67.61 -10.39 51.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.22 0.533 . . . . 0.0 110.48 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -22.24 29.57 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.762 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -67.67 -50.66 56.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.979 0.419 . . . . 0.0 110.911 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -87.93 5.42 40.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.411 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 56.36 51.27 11.75 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.661 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.6 mm -79.3 103.15 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.023 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -82.4 -176.59 6.29 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.308 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -74.21 159.8 32.03 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.948 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 65.0 12.54 7.98 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.01 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.0 m -73.5 150.48 41.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.602 0.239 . . . . 0.0 110.736 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.3 m -105.85 102.11 11.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.187 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 6.1 mp -92.69 133.27 36.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.375 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.484 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 75.4 m80 -104.22 118.28 36.26 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.869 0.366 . . . . 0.0 111.01 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 42' ' ' ARG . 27.7 tp -91.29 117.52 29.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.2 t -99.19 131.83 45.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.331 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.1 mt -114.87 88.17 2.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.726 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.448 ' HD3' ' OE1' ' B' ' 581' ' ' GLU . 0.0 OUTLIER -80.62 116.51 20.69 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.9 mt -101.17 165.83 11.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -87.86 -19.08 27.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.684 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.35 -154.38 27.88 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.023 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.92 -0.934 . . . . 0.0 111.78 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 24.3 m -120.87 89.71 45.87 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-O 120.798 0.333 . . . . 0.0 110.24 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.65 168.38 12.7 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.628 2.219 . . . . 0.0 112.266 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -96.3 125.68 40.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -70.26 -11.36 60.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.29 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -74.52 -16.85 60.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.996 0.427 . . . . 0.0 110.206 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -76.19 124.84 88.35 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.016 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.86 -8.88 19.2 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.971 2.447 . . . . 0.0 113.376 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -85.26 -19.22 31.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.094 0.473 . . . . 0.0 110.345 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 59.1 t -92.46 -45.61 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.256 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 546' ' ' ARG . . . . . 0.403 ' C ' ' H ' ' B' ' 548' ' ' GLN . 1.5 mtt180 56.7 39.08 29.89 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.535 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 75.22 -17.24 0.51 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.577 0.751 . . . . 0.0 111.625 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . 0.403 ' H ' ' C ' ' B' ' 546' ' ' ARG . 13.0 tt0 68.22 -52.27 0.54 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -93.55 -40.58 10.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.274 -0.266 . . . . 0.0 111.694 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -69.55 -29.52 67.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.077 0.465 . . . . 0.0 110.748 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' B' ' 555' ' ' SER . 15.1 tp -62.52 -24.25 67.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.709 179.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -80.41 -15.32 57.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.696 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -95.13 -36.5 11.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.956 0.408 . . . . 0.0 110.087 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.25 -37.32 61.06 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 555' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' B' ' 551' ' ' LEU . 0.3 OUTLIER -71.12 -18.76 62.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.892 178.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.44 -23.69 63.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.129 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 557' ' ' MET . . . . . 0.487 ' HG3' HD13 ' B' ' 580' ' ' ILE . 23.9 mmt -95.77 -11.89 26.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.192 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 87.52 116.31 1.15 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.785 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -154.05 128.56 9.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 26.0 mt -71.78 -28.56 63.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.457 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -85.8 157.02 20.34 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.041 0.448 . . . . 0.0 110.727 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -122.21 -43.97 2.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.782 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -69.42 -42.99 74.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.571 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 564' ' ' ALA . . . . . 0.544 ' HB1' HD11 ' B' ' 583' ' ' LEU . . . -56.2 -36.27 68.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.891 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -61.69 -41.88 98.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.332 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 46.0 tp -64.74 -36.16 83.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.873 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -75.09 -40.45 60.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.907 0.384 . . . . 0.0 110.445 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 568' ' ' ALA . . . . . 0.517 ' HB2' HD13 ' B' ' 583' ' ' LEU . . . -56.8 -35.82 69.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.044 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' B' ' 569' ' ' LEU . 0.7 OUTLIER -72.66 -33.74 66.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.925 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 21.8 mm -76.32 -42.35 36.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.843 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -57.84 -40.77 80.85 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.215 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 11.5 p -80.37 -50.84 9.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.38 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 109.85 1.43 30.38 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.178 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 147.48 -24.39 1.53 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.55 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -74.21 92.12 2.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.011 0.434 . . . . 0.0 110.689 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 78.2 mt -61.56 -42.09 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.808 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.41 -45.21 94.43 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 122.148 -0.345 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -66.1 -33.68 76.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.064 0.459 . . . . 0.0 109.907 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 579' ' ' ALA . . . . . 0.434 ' HB1' ' HB1' ' B' ' 568' ' ' ALA . . . -60.26 -56.15 24.97 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.772 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . 0.487 HD13 ' HG3' ' B' ' 557' ' ' MET . 41.9 mt -52.74 -40.21 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.342 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 581' ' ' GLU . . . . . 0.448 ' OE1' ' HD3' ' A' ' 72' ' ' ARG . 18.9 mt-10 -63.38 -49.49 73.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.379 0.609 . . . . 0.0 110.808 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 15.9 ttt85 -73.34 -36.98 66.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.307 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . 0.544 HD11 ' HB1' ' B' ' 564' ' ' ALA . 17.1 tp -65.08 -24.71 67.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.212 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 584' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.16 -22.03 65.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.927 0.394 . . . . 0.0 110.093 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -89.12 -61.81 1.39 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.919 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 37.5 m -149.04 -90.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.606 -0.349 . . . . 0.0 110.957 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 587' ' ' SER . . . . . 1.205 ' OG ' ' CB ' ' B' ' 587' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.238 0 CA-C-O 118.731 -0.652 . . . . 0.0 110.123 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptt? . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.854 0.359 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -110.09 158.39 18.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.997 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 pt -151.85 -175.43 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.92 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -132.11 137.19 47.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.31 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -128.61 130.02 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.097 0.475 . . . . 0.0 110.525 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -118.14 172.31 7.51 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.446 ' HB ' ' H ' ' A' ' 8' ' ' LEU . 13.5 p -120.11 -145.1 0.36 Allowed 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' H ' ' HB ' ' A' ' 7' ' ' THR . 14.1 tp -75.97 -14.89 60.24 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 p -110.14 -172.0 1.95 Allowed 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.826 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.23 26.54 6.87 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.86 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -69.77 152.85 44.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.701 0.286 . . . . 0.0 110.888 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.0 m -130.02 118.67 21.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.891 0.376 . . . . 0.0 111.231 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mt -117.94 124.4 73.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.309 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.52 139.7 31.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.341 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mt -148.68 141.68 24.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.976 0.417 . . . . 0.0 111.505 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -91.94 134.17 35.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 m -151.31 -172.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -147.1 158.82 44.13 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.09 -38.64 90.78 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 121.88 1.72 . . . . 0.0 111.768 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.56 2.99 23.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.126 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -78.16 131.81 37.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.498 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -75.99 152.78 36.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -179.569 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 54' ' ' ARG . 38.5 mm -60.39 -38.89 79.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.525 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -60.59 -39.66 88.91 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 22' ' ' THR . 28.0 m-20 -58.39 -45.32 88.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.758 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.48 -46.61 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.624 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -52.69 -42.71 65.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.154 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.33 96.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.98 0.419 . . . . 0.0 109.994 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.25 -45.58 90.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.607 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.6 mt -60.22 -40.38 83.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.238 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.416 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.0 tt0 -63.76 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.565 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -69.42 -50.84 42.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.832 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -67.41 -58.16 5.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.056 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -83.58 -67.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.766 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 125.18 44.47 0.27 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.814 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 39.1 mt -119.17 124.72 28.03 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 31.9 Cg_exo -59.33 131.73 42.55 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.618 2.212 . . . . 0.0 111.839 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 75.0 Cg_exo -51.72 -24.73 18.62 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 123.527 2.818 . . . . 0.0 114.197 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -72.38 -21.33 61.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.251 0.548 . . . . 0.0 111.037 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -104.21 0.19 29.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.683 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -91.36 128.64 37.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.074 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.55 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 64.7 mtt180 -127.9 121.52 30.2 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 177.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.426 HD12 HG23 ' A' ' 23' ' ' ILE . 37.6 mt -103.64 106.61 17.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.296 0.569 . . . . 0.0 110.896 -177.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.419 HD11 HD13 ' B' ' 584' ' ' LEU . 1.7 mp -102.79 124.79 57.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.012 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -125.71 110.79 14.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.203 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.66 25.19 14.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.056 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.19 2.97 63.75 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.878 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -115.94 132.56 56.61 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -82.67 126.32 32.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.774 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.83 117.82 21.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.739 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.538 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 37.7 mt-10 -71.51 141.82 50.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.674 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.85 -39.42 62.55 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.6 12.58 39.87 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.776 -0.726 . . . . 0.0 114.739 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.538 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.9 mmt180 -108.21 168.59 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.666 0.733 . . . . 0.0 110.453 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.8 p -110.54 171.47 7.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.31 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.1 mt -76.01 0.14 19.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 111.61 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 p -107.12 -12.91 15.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.458 0.646 . . . . 0.0 109.816 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -69.45 -41.58 76.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.197 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.431 ' O ' ' HB3' ' A' ' 60' ' ' ASN . 94.5 m-85 -90.46 19.84 4.98 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.444 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.431 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 29.3 t30 69.77 106.75 0.06 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.165 0.507 . . . . 0.0 110.964 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.6 tp -62.2 134.39 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.417 0.627 . . . . 0.0 111.36 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -130.24 136.01 48.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.561 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 141.7 57.27 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 57.4 54.76 6.3 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.21 124.58 23.85 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.336 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 m -110.11 94.29 4.94 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 121.562 0.696 . . . . 0.0 110.588 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -81.38 130.14 34.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.024 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -107.67 114.77 28.98 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.892 0.377 . . . . 0.0 110.897 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.55 ' HA ' ' O ' ' A' ' 42' ' ' ARG . 14.0 tp -88.6 93.96 9.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.936 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 t -78.99 139.64 18.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.004 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.7 mt -123.77 118.41 27.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.957 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.516 ' HA ' ' OE1' ' B' ' 581' ' ' GLU . 21.9 ttt180 -93.61 125.14 38.06 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.7 mt -82.09 155.26 25.16 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.331 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -101.67 -34.44 9.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.628 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.18 -176.86 15.2 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.677 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.836 -0.98 . . . . 0.0 111.915 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 4.6 m -125.36 83.68 60.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -90.27 171.8 3.67 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.827 2.352 . . . . 0.0 112.906 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -103.07 137.53 41.13 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -77.94 -2.89 39.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.731 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -75.23 -26.38 58.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.949 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -70.25 132.19 88.16 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.838 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 543' ' ' PRO . . . . . 0.466 ' O ' ' HG3' ' B' ' 546' ' ' ARG . 37.2 Cg_endo -65.72 -16.59 53.92 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.985 2.456 . . . . 0.0 112.599 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.49 -28.43 46.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.137 0.494 . . . . 0.0 109.964 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.09 -48.06 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.232 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 546' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' B' ' 543' ' ' PRO . 50.0 mtm180 58.48 33.09 22.82 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.824 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 71.74 -7.34 1.27 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.324 0.65 . . . . 0.0 112.168 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 67.97 -67.26 0.19 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -94.55 -34.2 12.75 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -175.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -66.1 -31.06 71.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.175 0.512 . . . . 0.0 110.548 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 12.1 tp -65.89 -20.42 66.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.637 178.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -79.34 -18.93 51.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.334 0.588 . . . . 0.0 109.938 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -90.02 -35.3 15.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.669 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . 0.759 HD13 ' HB3' ' B' ' 565' ' ' ASN . 4.1 mt -72.57 -40.77 66.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.507 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 15.7 m -70.91 -21.08 62.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.783 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -78.47 -14.05 59.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.257 0.551 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 17.8 mmt -106.46 5.61 29.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.562 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 77.35 99.3 0.18 Allowed Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.826 -0.624 . . . . 0.0 113.048 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 559' ' ' PHE . . . . . 0.497 ' HB3' HD21 ' B' ' 565' ' ' ASN . 5.7 m-85 -149.03 110.25 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 31.1 mt -71.92 -23.01 61.4 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -82.5 164.47 20.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -128.36 -50.86 1.29 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.683 0.278 . . . . 0.0 111.169 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -66.88 -48.6 68.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.719 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 564' ' ' ALA . . . . . 0.603 ' HB1' HD11 ' B' ' 583' ' ' LEU . . . -54.24 -35.17 62.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.107 0.48 . . . . 0.0 110.798 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 565' ' ' ASN . . . . . 0.759 ' HB3' HD13 ' B' ' 554' ' ' LEU . 2.5 m-20 -64.05 -40.55 96.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.454 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.442 ' O ' HG12 ' B' ' 570' ' ' ILE . 33.6 tp -67.01 -37.96 85.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.939 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -69.83 -45.12 68.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.185 0.517 . . . . 0.0 109.673 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 568' ' ' ALA . . . . . 0.489 ' HB1' ' HB1' ' B' ' 579' ' ' ALA . . . -57.25 -33.12 67.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.658 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.552 HD23 HD11 ' B' ' 554' ' ' LEU . 0.4 OUTLIER -75.91 -39.67 55.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.886 179.663 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.442 HG12 ' O ' ' B' ' 566' ' ' LEU . 37.3 mm -67.52 -48.25 77.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.856 0.36 . . . . 0.0 110.319 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -55.84 -40.57 73.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.919 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 19.1 p -78.4 -45.1 23.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.058 0.456 . . . . 0.0 110.435 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 102.66 6.04 47.35 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.134 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 140.62 -24.72 2.61 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.555 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -71.14 89.09 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 576' ' ' ILE . . . . . 0.43 ' O ' HG13 ' B' ' 580' ' ' ILE . 53.2 mt -60.27 -43.34 93.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.363 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.57 -46.29 84.14 Favored 'General case' 0 C--O 1.231 0.126 0 O-C-N 122.446 -0.159 . . . . 0.0 111.225 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . 0.495 ' HA ' ' OE2' ' B' ' 581' ' ' GLU . . . -62.64 -32.66 73.73 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.111 0.482 . . . . 0.0 110.307 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 579' ' ' ALA . . . . . 0.489 ' HB1' ' HB1' ' B' ' 568' ' ' ALA . . . -66.43 -52.12 49.71 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.768 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 576' ' ' ILE . 76.3 mt -52.32 -44.56 42.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.828 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 581' ' ' GLU . . . . . 0.516 ' OE1' ' HA ' ' A' ' 72' ' ' ARG . 38.4 mt-10 -57.08 -55.24 37.28 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.382 0.61 . . . . 0.0 110.579 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -68.97 -45.69 70.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.119 -0.946 . . . . 0.0 113.028 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . 0.603 HD11 ' HB1' ' B' ' 564' ' ' ALA . 23.7 tp -56.31 -38.49 71.34 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -176.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 584' ' ' LEU . . . . . 0.419 HD13 HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -69.68 -24.58 63.62 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.065 -179.594 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -93.16 -61.35 1.14 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.444 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 66.5 m -152.51 140.08 19.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.783 0.325 . . . . 0.0 110.372 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.486 -0.768 . . . . 0.0 110.695 -179.634 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.83 0.348 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -99.56 154.98 17.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.493 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.6 pt -149.46 169.79 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -130.53 138.51 50.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.568 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.443 ' HB ' ' HB ' ' A' ' 13' ' ' ILE . 95.6 t -121.29 117.42 52.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.973 0.416 . . . . 0.0 110.436 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.641 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 22.2 mmtp -107.21 119.48 39.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.547 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.5 p -86.25 -175.4 5.49 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.649 0.262 . . . . 0.0 111.094 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.47 HD11 HG13 ' A' ' 70' ' ' VAL . 71.5 mt -64.6 -29.91 70.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.08 0.467 . . . . 0.0 110.789 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -0.43 49.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.106 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.36 20.82 68.51 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.471 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.641 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 8.4 tttt -73.69 151.76 40.64 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.66 99.63 7.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.938 0.399 . . . . 0.0 111.215 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.443 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 12.6 mt -98.46 112.56 30.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.691 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -82.68 128.92 34.81 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.029 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.8 mt -137.57 167.71 21.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.076 0.465 . . . . 0.0 111.269 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -122.73 138.4 54.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.03 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -161.92 -173.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -178.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -143.26 154.26 60.64 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.66 -26.53 38.11 Favored 'Trans proline' 0 N--CA 1.476 0.463 0 C-N-CA 123.038 2.492 . . . . 0.0 113.82 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -85.29 -6.36 59.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.83 150.44 36.1 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.876 0.369 . . . . 0.0 110.85 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 4.2 p -89.75 158.95 17.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.247 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.573 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 47.1 mm -62.04 -38.62 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -59.7 -42.49 93.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.995 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -58.16 -35.19 71.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.071 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.475 ' O ' HG13 ' A' ' 30' ' ' ILE . 34.7 t -70.63 -45.39 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.467 178.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 7.9 mmmm -48.91 -46.73 43.32 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.13 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.5 99.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.079 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -58.35 -49.46 77.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.562 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 26' ' ' VAL . 15.1 mt -61.37 -36.09 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.353 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 58.9 tt0 -63.89 -37.99 89.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.131 0.491 . . . . 0.0 110.327 178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.95 -45.82 69.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.266 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -68.01 -64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.349 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -80.68 -55.67 4.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.855 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 113.07 40.68 1.04 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.106 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.0 mt -116.62 123.54 30.38 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.46 137.59 72.7 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.553 2.169 . . . . 0.0 111.915 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.88 -24.71 32.43 Favored 'Trans proline' 0 N--CA 1.474 0.332 0 C-N-CA 123.176 2.584 . . . . 0.0 113.282 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -18.22 61.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.725 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -105.8 1.77 27.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.048 0.451 . . . . 0.0 110.737 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.493 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 39.7 mt-30 -105.56 136.57 44.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.197 -178.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -132.84 135.71 45.8 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -110.71 123.52 50.19 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.61 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -116.36 128.73 73.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.011 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -126.5 104.08 7.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.181 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.31 33.3 16.6 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.311 0.577 . . . . 0.0 110.729 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.07 -16.16 59.29 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.451 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -88.68 117.84 27.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.651 0.262 . . . . 0.0 110.389 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -72.77 127.56 32.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.221 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.8 mt -87.57 116.71 25.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.09 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -78.11 145.41 35.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.352 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.21 -32.44 68.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.973 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.35 35.24 3.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.713 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -132.99 162.16 32.43 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 80.4 p -111.3 172.98 6.56 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.31 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.0 mt -73.92 -3.63 30.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.948 0.404 . . . . 0.0 110.526 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.9 m -97.05 -17.14 20.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.192 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.08 -58.02 5.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.988 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -85.53 3.88 38.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.434 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 t30 59.67 74.57 0.44 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.861 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.4 mp -95.15 124.64 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.039 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -86.55 176.63 7.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.871 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.38 142.11 39.46 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.198 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.54 40.99 13.01 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.796 0.808 . . . . 0.0 110.391 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.18 155.57 26.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.11 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 m -103.62 89.96 3.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.311 0.577 . . . . 0.0 110.55 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.11 133.8 35.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.841 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.581 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 9.5 m80 -102.97 114.14 28.18 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.769 0.318 . . . . 0.0 111.246 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.5 tp -90.77 125.25 35.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.038 0.446 . . . . 0.0 110.114 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.47 HG13 HD11 ' A' ' 8' ' ' LEU . 57.7 t -108.03 134.93 48.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.224 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.7 mt -115.81 130.83 57.0 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -100.11 113.29 25.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.831 0.348 . . . . 0.0 110.717 -179.382 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.6 mt -67.95 116.21 8.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.51 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -87.21 -18.25 30.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.603 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -124.59 143.79 14.88 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.701 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.572 -1.127 . . . . 0.0 111.371 -179.906 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.996 -0.441 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.88 92.06 45.52 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-O 120.865 0.364 . . . . 0.0 110.523 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -90.61 -161.83 0.11 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.958 2.439 . . . . 0.0 111.778 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -125.0 146.63 49.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.839 0.352 . . . . 0.0 110.103 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -83.99 -14.3 51.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.041 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -69.17 -27.28 65.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.727 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -74.99 121.78 86.03 Favored Pre-proline 0 C--O 1.236 0.393 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.965 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.35 -0.92 6.41 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.969 2.446 . . . . 0.0 113.452 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -82.82 -21.28 34.53 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 6.7 t -101.9 -50.48 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.931 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 546' ' ' ARG . . . . . 0.508 ' O ' ' HB2' ' B' ' 547' ' ' PHE . 5.2 mtm180 57.18 49.73 12.99 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.964 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 547' ' ' PHE . . . . . 0.508 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 14.5 m-85 74.93 -37.87 0.36 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.158 0.583 . . . . 0.0 111.872 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 73.58 -40.63 0.47 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.767 0.827 . . . . 0.0 112.455 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -96.26 -46.97 6.22 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.877 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -65.85 -32.21 73.6 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 14.4 tp -66.54 -19.11 65.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.864 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -80.89 -15.01 57.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.184 0.516 . . . . 0.0 110.006 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.42 -35.6 9.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.382 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 52.7 mt -67.82 -43.4 79.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.076 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 5.1 m -76.96 -16.88 59.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.549 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -78.74 -24.27 44.93 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.412 0.625 . . . . 0.0 109.97 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 10.3 mmt -85.42 12.08 9.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.89 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 77.59 78.08 0.79 Allowed Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.805 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 559' ' ' PHE . . . . . 0.413 ' CE1' HD23 ' B' ' 583' ' ' LEU . 29.2 m-85 -147.43 138.72 23.78 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 36.9 mt -106.73 -15.66 14.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.21 152.05 42.49 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.441 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -114.95 -59.1 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.095 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -65.0 -49.23 71.07 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.591 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.18 81.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.348 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -63.87 -37.5 87.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.081 0.467 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' B' ' 546' ' ' ARG . 53.7 tp -63.42 -39.8 95.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.426 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -76.86 -37.69 55.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.926 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.95 75.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.994 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' B' ' 569' ' ' LEU . 0.7 OUTLIER -69.76 -32.97 71.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.146 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 35.6 mm -73.44 -45.28 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.456 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -55.69 -42.11 74.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.149 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 68.9 p -81.69 -30.17 32.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.802 0.334 . . . . 0.0 111.219 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 97.78 10.93 51.88 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.319 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 128.29 -16.15 6.03 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.72 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -72.61 100.52 2.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.92 0.39 . . . . 0.0 110.496 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.97 -48.67 88.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.093 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.74 -48.4 75.29 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -63.26 -34.24 77.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -62.15 -51.07 69.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.769 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 84.3 mt -54.24 -45.6 67.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.442 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 581' ' ' GLU . . . . . 0.403 ' OE1' ' HD3' ' A' ' 72' ' ' ARG . 22.1 mt-10 -66.85 -34.63 78.22 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 121.137 0.494 . . . . 0.0 110.624 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -72.89 -40.07 65.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.241 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . 0.413 HD23 ' CE1' ' B' ' 559' ' ' PHE . 15.6 tp -56.77 -53.39 58.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.596 -178.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 584' ' ' LEU . . . . . 0.4 HD21 HG11 ' A' ' 70' ' ' VAL . 1.3 pp -93.0 21.06 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.223 0.535 . . . . 0.0 110.806 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -109.22 -65.96 0.57 Allowed Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.813 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 28.9 m -158.55 140.26 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.584 179.833 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -104.56 155.89 18.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.725 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 pt -147.25 174.88 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -121.82 135.41 54.91 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.3 t -123.44 112.72 34.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 4.1 tttp -112.2 127.85 56.07 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.461 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 p -83.93 174.1 10.64 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.051 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.554 HD11 HG13 ' A' ' 70' ' ' VAL . 26.1 mt -66.53 -21.82 66.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.182 0.515 . . . . 0.0 110.196 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.35 -19.88 57.76 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.791 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.18 11.23 39.95 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.935 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 86.6 tttt -76.22 147.32 38.46 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.9 m -117.25 109.02 16.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.162 0.506 . . . . 0.0 110.89 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 mt -105.01 122.89 58.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.618 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.448 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -87.22 123.91 32.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.965 178.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mt -133.25 153.77 51.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.94 0.4 . . . . 0.0 111.441 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -108.93 137.1 47.39 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 m -148.08 -170.54 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' HD12 ' A' ' 56' ' ' LEU . 5.3 mm-40 -147.18 158.53 44.33 Favored Pre-proline 0 C--N 1.32 -0.713 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.28 -37.65 81.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.213 1.942 . . . . 0.0 112.558 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.84 6.46 24.58 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.5 t0 -75.46 139.87 42.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.925 0.393 . . . . 0.0 110.233 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -82.83 147.53 28.29 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.763 -179.758 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.6 mm -56.98 -46.18 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.078 0.466 . . . . 0.0 110.51 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -64.31 -33.13 75.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.456 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -63.84 -38.5 91.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.025 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 22' ' ' THR . 47.2 t -64.55 -44.22 96.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -54.8 -38.22 67.06 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.282 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.73 98.41 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.306 0.574 . . . . 0.0 109.67 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -61.11 -44.84 96.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.218 178.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.4 mt -61.24 -40.57 86.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.228 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -61.41 -33.17 73.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.307 0.575 . . . . 0.0 110.222 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.95 -45.83 55.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.403 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' HE3' ' O ' ' A' ' 14' ' ' THR . 54.6 mttm -68.71 -56.47 8.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.295 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -88.49 -61.63 1.67 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.74 -12.06 5.14 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.454 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 11.7 mt -70.01 125.42 91.98 Favored Pre-proline 0 C--N 1.323 -0.58 0 O-C-N 122.939 -0.153 . . . . 0.0 110.723 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 27.5 Cg_exo -62.71 143.21 91.84 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.686 2.257 . . . . 0.0 112.076 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 54.5 Cg_exo -54.02 -24.31 31.94 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.248 2.632 . . . . 0.0 113.856 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.52 -21.55 59.49 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.171 0.51 . . . . 0.0 110.955 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -100.0 1.79 42.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.783 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -101.48 143.43 31.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.29 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -134.23 131.27 38.31 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 176.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 43' ' ' LEU . 21.5 mt -108.43 118.7 37.47 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.249 0.547 . . . . 0.0 112.103 -178.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.54 126.93 68.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.862 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.454 ' HB3' HD21 ' A' ' 50' ' ' LEU . 77.8 t80 -135.98 128.89 31.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.882 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.18 20.47 11.73 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.538 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' B' ' 558' ' ' GLY . . . 93.89 -0.82 67.46 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.751 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -120.9 152.18 38.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.114 0.457 . . . . 0.0 111.359 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -82.32 141.84 32.54 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.396 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.454 HD21 ' HB3' ' A' ' 45' ' ' PHE . 35.9 mt -98.25 146.8 25.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -90.57 141.24 28.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.151 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.4 -41.32 98.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.028 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.79 47.78 3.87 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.703 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.1 mmt-85 -141.57 163.45 32.9 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.5 p -108.82 163.95 12.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.726 0.298 . . . . 0.0 110.564 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.502 HD22 HG13 ' A' ' 61' ' ' ILE . 85.4 mt -68.81 -14.83 63.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.214 0.53 . . . . 0.0 109.966 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -24.27 39.1 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.868 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -68.96 -47.13 66.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.813 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -88.72 3.21 51.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 57.95 62.01 2.2 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.072 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.502 HG13 HD22 ' A' ' 56' ' ' LEU . 48.4 mm -79.57 122.93 35.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -96.81 174.16 6.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.985 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -63.32 132.42 51.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.026 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 63.29 41.61 7.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.134 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.8 m -78.24 146.91 34.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -93.94 101.32 13.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.793 0.33 . . . . 0.0 111.572 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -96.76 131.72 43.18 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.544 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 33.9 m80 -102.95 117.48 34.7 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.215 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.2 tp -89.16 118.04 28.58 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.093 0.473 . . . . 0.0 109.938 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.554 HG13 HD11 ' A' ' 8' ' ' LEU . 81.8 t -102.06 136.22 35.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.273 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.2 mt -123.16 114.87 20.88 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.545 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -92.03 129.68 37.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.191 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.2 mt -97.37 134.25 40.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.46 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -86.67 -23.03 25.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.387 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.28 178.41 25.44 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.818 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.793 -1.004 . . . . 0.0 111.544 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 536' ' ' GLY . . . . . 0.413 ' O ' ' HD3' ' B' ' 538' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.914 -0.474 . . . . 0.0 111.914 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.73 91.78 13.11 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 538' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' B' ' 536' ' ' GLY . 53.1 Cg_endo -92.47 161.43 2.97 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 122.921 2.414 . . . . 0.0 112.923 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -84.62 118.47 24.39 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -62.48 -23.53 66.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.324 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -64.64 -23.84 67.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.879 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.65 126.24 90.41 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.3 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.96 -16.04 51.6 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.828 2.352 . . . . 0.0 112.413 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.99 -30.35 44.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.152 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 63.8 t -79.55 -49.25 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.335 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 546' ' ' ARG . . . . . 0.548 ' O ' ' HB2' ' B' ' 551' ' ' LEU . 43.5 mtm180 60.48 36.51 20.1 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.469 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 75.24 -21.62 0.29 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.527 0.731 . . . . 0.0 110.972 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 548' ' ' GLN . . . . . 0.44 ' H ' ' C ' ' B' ' 546' ' ' ARG . 7.9 tt0 71.25 -56.18 0.64 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.913 0.885 . . . . 0.0 113.119 178.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -86.22 -56.52 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 550' ' ' GLN . . . . . 0.465 ' HA ' ' OE1' ' B' ' 550' ' ' GLN . 11.1 mm-40 -60.7 -22.83 64.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.786 0.327 . . . . 0.0 111.819 -178.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . 0.548 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 34.2 tp -63.61 -24.63 67.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.592 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -80.32 -12.03 59.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.015 0.436 . . . . 0.0 110.374 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -98.59 -41.25 7.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.933 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 554' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' B' ' 565' ' ' ASN . 9.6 mt -66.27 -43.12 87.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.821 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 1.7 m -78.12 -17.89 56.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.641 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -74.69 -17.37 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 111.489 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 10.1 mmt -92.22 11.04 27.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . 0.426 ' O ' ' HA2' ' A' ' 47' ' ' GLY . . . 74.4 84.84 0.3 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.557 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -144.04 156.34 44.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.603 0.239 . . . . 0.0 110.543 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 14.1 mt -110.5 -19.3 12.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.247 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 561' ' ' ASN . . . . . 0.423 ' HB3' ' OD1' ' B' ' 565' ' ' ASN . 6.7 t-20 -74.5 146.42 42.74 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.695 -178.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -121.5 -58.72 1.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.652 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -62.38 -53.7 51.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.474 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -56.19 -35.13 66.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.079 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 565' ' ' ASN . . . . . 0.474 ' HB3' HD13 ' B' ' 554' ' ' LEU . 5.4 m-20 -64.36 -43.79 93.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.019 0.438 . . . . 0.0 110.296 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 30.9 tp -64.7 -37.06 86.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.209 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -71.41 -42.67 68.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.842 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -56.26 -35.42 67.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.145 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.412 HD23 HD11 ' B' ' 554' ' ' LEU . 0.2 OUTLIER -72.47 -35.37 68.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.435 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 29.5 mm -73.57 -42.45 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -60.74 -30.63 70.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.523 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 6.5 p -89.62 -40.62 12.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.096 0.474 . . . . 0.0 110.831 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 99.48 7.77 53.54 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.389 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 136.17 -16.42 3.91 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.405 -0.902 . . . . 0.0 113.089 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -76.67 92.69 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.803 0.335 . . . . 0.0 110.623 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 25.1 mt -58.31 -49.52 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.833 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -58.47 -46.3 86.89 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -66.79 -31.66 72.44 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.719 0.295 . . . . 0.0 110.72 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -64.29 -55.24 22.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.748 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 77.8 mt -53.71 -42.21 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.185 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.52 -53.69 54.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.28 0.562 . . . . 0.0 110.064 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 582' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 582' ' ' ARG . 20.6 ttt180 -68.64 -35.18 76.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.091 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 30.4 tp -51.04 -41.54 59.91 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 584' ' ' LEU . . . . . 0.54 HD11 HG11 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -98.8 19.82 14.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.044 0.449 . . . . 0.0 111.07 -179.839 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -122.1 -59.0 0.21 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.408 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 13.9 m -153.63 159.62 42.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.865 0.364 . . . . 0.0 110.894 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 10.2 m . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.687 179.102 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.7 ptt? . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.925 0.393 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -91.6 151.82 20.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.312 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.6 pt -149.19 166.52 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.276 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -123.32 133.67 54.12 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 64.1 t -126.17 104.87 13.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.956 0.407 . . . . 0.0 110.12 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.641 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 13.0 tttp -101.66 121.14 41.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.957 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 71.7 p -74.98 168.76 19.33 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.696 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.451 HD22 HG13 ' A' ' 70' ' ' VAL . 15.3 tp -64.43 -24.61 67.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.099 0.476 . . . . 0.0 110.543 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 m -76.32 -22.09 55.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.254 0.55 . . . . 0.0 110.43 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.24 14.89 13.53 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.726 -0.75 . . . . 0.0 113.127 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.641 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 59.3 tttm -82.72 140.63 32.97 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -111.92 102.39 10.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.865 0.364 . . . . 0.0 110.589 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -98.21 121.58 48.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.079 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 m -92.84 125.55 37.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mp -139.06 175.06 9.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.037 0.446 . . . . 0.0 111.219 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -121.75 138.45 54.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.168 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.543 ' O ' ' HG2' ' A' ' 1' ' ' MET . 17.3 m -149.61 164.33 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 13.0 mm-40 -114.39 152.86 46.46 Favored Pre-proline 0 C--N 1.316 -0.891 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -58.43 -12.46 13.78 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.488 2.125 . . . . 0.0 112.64 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 m -104.55 12.5 33.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.343 . . . . 0.0 111.023 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.2 m-20 -78.75 158.51 28.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.01 0.433 . . . . 0.0 110.673 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.464 HG22 HG22 ' A' ' 55' ' ' THR . 7.2 p -108.38 162.62 13.94 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.77 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.6 mm -58.62 -42.92 86.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.061 0.458 . . . . 0.0 110.51 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.22 -40.73 96.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.916 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.451 ' HB2' ' OG1' ' A' ' 22' ' ' THR . 4.9 t30 -59.78 -40.06 86.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.1 t -66.93 -44.51 88.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -53.03 -39.8 63.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.621 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.72 93.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.864 0.364 . . . . 0.0 110.439 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 63.0 mttt -58.94 -48.12 82.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.093 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.6 mt -61.55 -40.68 87.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.589 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.56 -38.67 88.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.64 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.91 -45.82 80.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.233 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -66.57 -56.2 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.577 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -84.07 -77.7 0.25 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.796 0.332 . . . . 0.0 111.858 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.23 -12.37 1.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.795 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 mt -67.79 124.58 89.75 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.247 . . . . 0.0 110.616 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.06 139.75 92.12 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.851 2.367 . . . . 0.0 112.185 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -51.78 -26.62 24.33 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.314 2.676 . . . . 0.0 113.786 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -69.87 -23.95 63.34 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.121 0.486 . . . . 0.0 110.731 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -98.61 -0.93 42.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.233 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -93.99 142.5 27.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.072 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HD3' HD11 ' B' ' 584' ' ' LEU . 70.8 mtt180 -138.48 127.81 24.45 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.56 113.8 27.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.32 0.581 . . . . 0.0 111.418 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.484 HD11 HD13 ' B' ' 584' ' ' LEU . 3.5 mp -114.74 131.17 67.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.652 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -126.04 107.94 10.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.906 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.36 29.6 19.14 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.455 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.27 -19.83 52.32 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.267 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -82.03 125.22 30.56 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -77.39 123.36 26.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.579 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.4 mt -88.38 107.81 19.03 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.99 141.93 56.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.815 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -37.65 71.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.926 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.71 41.86 3.07 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.45 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.0 mmt-85 -133.89 167.29 20.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.041 0.448 . . . . 0.0 110.403 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.464 HG22 HG22 ' A' ' 22' ' ' THR . 81.7 p -112.26 171.95 7.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.344 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.6 mt -75.32 -11.82 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.178 0.514 . . . . 0.0 110.239 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -17.05 32.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.799 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.41 -52.44 39.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -93.44 7.32 45.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 57.41 64.64 1.54 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.1 mm -87.03 124.69 40.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.94 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -101.58 -177.85 3.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.898 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -79.83 156.3 27.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.939 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 63.48 26.62 14.89 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.439 0.462 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -85.33 154.53 21.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.5 m -106.99 105.69 15.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.136 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 3.7 mp -98.76 139.06 35.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.155 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.562 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 38.4 m80 -105.47 115.83 30.92 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.747 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 7' ' ' THR . 13.1 tp -98.42 109.66 22.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.996 0.427 . . . . 0.0 110.32 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.451 HG13 HD22 ' A' ' 8' ' ' LEU . 42.6 t -87.59 137.6 20.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.9 mt -107.35 102.3 11.6 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.87 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -83.65 101.01 11.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.126 0.489 . . . . 0.0 110.021 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.4 mt -76.57 129.68 36.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.542 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -83.02 -18.15 40.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.491 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.85 -163.96 38.48 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.011 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.973 0 CA-C-O 118.884 -0.953 . . . . 0.0 111.425 -179.874 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.619 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 1.7 m -122.04 82.93 44.1 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.757 0.313 . . . . 0.0 110.641 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -89.61 168.33 4.91 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 539' ' ' GLU . . . . . 0.489 ' HG3' ' HB2' ' B' ' 542' ' ' ASN . 3.1 pt-20 -92.53 127.89 38.19 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.012 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -72.48 -23.2 61.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.304 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -66.76 -29.01 68.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.12 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 542' ' ' ASN . . . . . 0.489 ' HB2' ' HG3' ' B' ' 539' ' ' GLU . 8.2 t-20 -63.32 123.72 81.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.708 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -61.46 -14.89 37.61 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.0 2.467 . . . . 0.0 113.036 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 544' ' ' GLU . . . . . 0.442 ' HG2' ' CG ' ' B' ' 542' ' ' ASN . 9.8 pt-20 -73.7 -31.51 63.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.986 0.422 . . . . 0.0 109.996 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.406 HG23 ' HG3' ' B' ' 544' ' ' GLU . 46.0 t -87.97 -51.65 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.335 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 546' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' B' ' 547' ' ' PHE . 35.4 mtm180 58.72 37.25 25.14 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.709 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 547' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 2.6 m-85 74.99 -24.23 0.22 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.526 0.73 . . . . 0.0 111.815 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . 0.42 ' H ' ' C ' ' B' ' 546' ' ' ARG . 6.2 mt-30 68.45 -51.24 0.56 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.99 0.916 . . . . 0.0 113.171 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -89.55 -43.64 10.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.988 -0.445 . . . . 0.0 110.886 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -63.69 -32.31 73.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.0 0.428 . . . . 0.0 110.434 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . 0.625 ' HA ' HD12 ' B' ' 554' ' ' LEU . 14.7 tp -71.52 -19.07 62.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.86 -33.16 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -81.1 -38.49 27.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.859 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . 0.751 HD13 ' HB3' ' B' ' 565' ' ' ASN . 20.6 mt -61.75 -41.13 97.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.133 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 9.5 m -77.35 -23.23 50.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.934 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -79.66 -9.7 59.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.144 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 5.9 mmt -105.42 11.63 32.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.875 0.369 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 74.62 75.69 0.78 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.124 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.68 119.35 8.02 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 29.1 mt -84.62 -10.85 56.97 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 561' ' ' ASN . . . . . 0.606 ' HB3' ' OD1' ' B' ' 565' ' ' ASN . 4.6 t-20 -74.8 148.81 40.01 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.62 -62.78 1.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.79 0.328 . . . . 0.0 111.697 -178.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.25 -53.22 59.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.638 -178.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -53.76 -37.26 63.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.423 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . 0.751 ' HB3' HD13 ' B' ' 554' ' ' LEU . 3.2 m-20 -63.47 -36.49 83.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.855 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.48 ' O ' HG12 ' B' ' 570' ' ' ILE . 49.2 tp -64.55 -34.64 78.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.338 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -74.23 -45.83 45.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.854 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.89 -35.34 70.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.906 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.99 -32.02 68.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.718 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.48 HG12 ' O ' ' B' ' 566' ' ' LEU . 40.5 mm -75.67 -40.86 40.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.095 0.474 . . . . 0.0 109.905 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.2 71.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.613 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 8.6 p -93.37 -38.19 11.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.39 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 88.83 25.88 28.44 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.656 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 122.02 -16.6 8.75 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.566 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.18 85.14 3.01 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.67 -47.15 92.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.633 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -59.54 -48.86 80.02 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.09 70.97 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.431 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -67.21 -58.22 5.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.436 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . 0.424 HD12 HD11 ' A' ' 8' ' ' LEU . 89.1 mt -56.5 -39.22 60.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.83 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -53.16 -58.66 6.28 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.227 0.537 . . . . 0.0 110.436 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -70.88 -35.94 72.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.081 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.23 -43.64 92.36 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 584' ' ' LEU . . . . . 0.484 HD13 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -69.02 -23.18 64.04 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.655 -179.533 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -80.1 -50.82 5.31 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.927 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 69.3 m -154.75 -101.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.832 -1.08 . . . . 0.0 108.912 179.653 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -94.83 149.3 21.39 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.509 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 pt -151.31 159.36 4.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.015 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -126.72 137.42 53.25 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.524 HG21 HD12 ' A' ' 15' ' ' LEU . 74.6 t -120.21 119.29 59.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.635 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 88.4 mttt -116.15 124.36 50.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.763 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 71.2 p -80.55 178.42 8.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.221 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.609 HD13 HG13 ' A' ' 70' ' ' VAL . 43.4 tp -61.36 -38.66 87.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.077 0.465 . . . . 0.0 110.415 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 m -70.22 -24.62 63.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.562 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.95 20.99 8.38 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.611 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.635 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 84.0 tttt -77.76 155.49 31.14 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.49 125.89 52.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.958 0.409 . . . . 0.0 111.115 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.4 mt -131.35 125.25 56.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.712 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.28 137.49 32.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.524 HD12 HG21 ' A' ' 5' ' ' VAL . 39.6 mt -141.29 174.79 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.05 0.452 . . . . 0.0 111.456 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -132.12 133.53 44.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -161.37 158.02 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.285 -178.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -101.12 153.68 37.62 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.26 -18.39 58.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.091 1.861 . . . . 0.0 111.598 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.38 -2.29 58.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.847 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.68 153.79 38.74 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.942 0.401 . . . . 0.0 110.635 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -92.03 159.71 15.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.685 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.406 HG23 HD12 ' A' ' 43' ' ' LEU . 24.0 mm -61.5 -40.25 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.545 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.13 -34.79 78.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.997 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.79 -42.13 96.95 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.857 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.73 -46.66 93.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.309 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -53.87 -36.5 62.71 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.425 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.27 87.34 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.143 0.497 . . . . 0.0 110.258 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -59.87 -44.81 93.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.926 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.408 HD13 HD22 ' A' ' 69' ' ' LEU . 82.2 mt -61.45 -41.43 89.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.487 178.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.61 -37.63 84.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.196 0.522 . . . . 0.0 110.231 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.34 -44.53 64.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.947 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -69.69 -64.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.189 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -78.97 -63.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.967 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.96 19.22 3.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.977 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 mt -94.21 128.17 41.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 34.5 Cg_exo -57.01 136.79 78.78 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.633 2.222 . . . . 0.0 111.938 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.6 Cg_exo -54.5 -26.51 45.42 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.136 2.557 . . . . 0.0 113.191 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.47 -20.73 62.04 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.877 0.37 . . . . 0.0 110.773 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -99.48 -3.09 34.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.088 0.47 . . . . 0.0 110.103 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -94.26 137.53 33.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.782 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -135.6 130.73 34.89 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.406 HD12 HG23 ' A' ' 23' ' ' ILE . 6.5 mt -106.4 112.96 26.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.338 0.59 . . . . 0.0 111.511 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.46 HD11 HD13 ' B' ' 584' ' ' LEU . 1.8 mp -108.0 123.87 63.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.644 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -127.67 111.61 13.91 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.287 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.74 35.74 16.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.878 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.46 -24.51 9.82 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.626 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -83.87 146.14 28.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.792 0.33 . . . . 0.0 110.712 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -94.38 134.11 37.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.859 0.361 . . . . 0.0 110.197 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.6 mt -89.14 126.44 35.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.66 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -73.32 137.74 44.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.747 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.36 -39.02 69.56 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.347 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.3 23.36 12.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.6 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -116.57 168.86 9.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.965 0.383 . . . . 0.0 110.438 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.6 p -109.4 166.89 10.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.11 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.3 mt -71.27 -9.48 58.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.027 0.442 . . . . 0.0 110.928 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -17.97 23.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.079 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.13 -40.52 86.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.469 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -101.28 5.63 42.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.377 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 t30 65.51 95.91 0.05 Allowed 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.576 0.548 . . . . 0.0 110.893 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.0 tp -93.65 123.73 45.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.143 0.496 . . . . 0.0 110.336 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.3 pm0 -97.97 155.85 16.9 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -71.79 143.68 49.44 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.367 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 64.23 38.33 8.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.818 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 p -88.26 163.11 16.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.942 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.5 m -111.72 98.65 7.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.211 0.529 . . . . 0.0 111.091 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.4 mt -80.42 122.9 27.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.234 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.467 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 72.3 m80 -100.38 110.87 23.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.903 0.382 . . . . 0.0 110.652 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 7' ' ' THR . 12.5 tp -96.48 103.21 15.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.053 0.454 . . . . 0.0 110.456 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.609 HG13 HD13 ' A' ' 8' ' ' LEU . 97.1 t -89.0 144.38 9.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.4 mt -114.43 138.81 50.1 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.29 117.52 30.43 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.394 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.6 mt -89.09 145.99 25.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.502 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -102.55 -40.07 6.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.324 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.82 -147.78 21.21 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.535 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.153 0 CA-C-O 118.668 -1.073 . . . . 0.0 111.246 -179.483 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.77 83.33 35.94 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-O 120.785 0.326 . . . . 0.0 110.643 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -86.08 148.94 9.35 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.674 2.25 . . . . 0.0 112.429 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 539' ' ' GLU . . . . . 0.417 ' HG3' ' HB2' ' B' ' 542' ' ' ASN . 3.4 pt-20 -71.71 134.8 46.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.861 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 540' ' ' PHE . . . . . 0.424 ' CD1' ' HA ' ' B' ' 547' ' ' PHE . 42.1 m-85 -82.56 -10.46 58.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.934 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -74.85 -25.15 58.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.449 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 542' ' ' ASN . . . . . 0.51 ' OD1' ' HD2' ' B' ' 543' ' ' PRO . 5.0 t-20 -64.35 126.51 90.63 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.931 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 543' ' ' PRO . . . . . 0.51 ' HD2' ' OD1' ' B' ' 542' ' ' ASN . 31.0 Cg_endo -64.14 -14.29 42.77 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.954 2.436 . . . . 0.0 113.081 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -85.43 -2.73 58.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.444 . . . . 0.0 110.379 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 58.7 t -115.77 -58.95 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.058 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 546' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' B' ' 551' ' ' LEU . 0.6 OUTLIER 57.01 49.48 13.79 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.742 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 547' ' ' PHE . . . . . 0.424 ' HA ' ' CD1' ' B' ' 540' ' ' PHE . 0.2 OUTLIER 74.87 -33.07 0.23 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.369 -179.473 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . 0.428 ' H ' ' C ' ' B' ' 546' ' ' ARG . 4.6 tt0 71.1 -45.69 0.62 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.686 0.794 . . . . 0.0 112.752 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -89.41 -51.03 5.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.687 0.28 . . . . 0.0 111.09 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -69.31 -24.17 63.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.089 0.471 . . . . 0.0 110.538 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 16.5 tp -61.49 -26.33 67.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.922 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -81.97 -6.43 59.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.788 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -97.53 -41.37 8.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.493 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.71 -42.92 32.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.386 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 5.9 m -69.14 -22.61 63.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.923 0.392 . . . . 0.0 110.564 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -67.42 -15.97 63.97 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 121.351 0.596 . . . . 0.0 110.684 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 17.3 mmt -88.29 14.72 8.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.34 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 89.44 -1.83 82.38 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.796 -0.638 . . . . 0.0 113.451 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -61.55 124.87 21.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.309 0.576 . . . . 0.0 111.475 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 21.0 mt -91.09 -9.31 46.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.82 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -85.95 164.61 17.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.582 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -133.72 -50.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.77 0.319 . . . . 0.0 110.787 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -61.09 -56.62 18.77 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.282 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.17 66.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.071 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -61.68 -40.51 95.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.349 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.588 ' O ' HG12 ' B' ' 570' ' ' ILE . 55.0 tp -67.34 -36.11 80.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.698 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -70.65 -43.94 68.15 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 568' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' B' ' 579' ' ' ALA . . . -58.24 -33.6 69.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.34 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.02 -36.09 64.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.613 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.588 HG12 ' O ' ' B' ' 566' ' ' LEU . 49.3 mm -74.34 -43.84 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.139 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -55.42 -44.19 76.02 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.941 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 8.3 p -77.36 -61.07 2.11 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.262 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 108.79 -7.61 33.65 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.724 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 174.01 -38.35 0.13 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.96 -1.114 . . . . 0.0 113.254 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -76.89 87.32 3.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.129 0.49 . . . . 0.0 110.561 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 576' ' ' ILE . . . . . 0.4 ' O ' HG13 ' B' ' 580' ' ' ILE . 23.3 mt -62.03 -36.08 72.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.96 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . 0.415 ' CG ' ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -61.13 -43.61 98.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.918 0.389 . . . . 0.0 110.634 179.424 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -66.51 -33.74 76.37 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.116 0.484 . . . . 0.0 109.944 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 579' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' B' ' 568' ' ' ALA . . . -61.72 -55.24 32.41 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.576 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 576' ' ' ILE . 73.8 mt -51.7 -40.12 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.545 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -56.37 -57.15 13.51 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.363 0.601 . . . . 0.0 110.794 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -68.99 -40.36 78.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.766 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 30.7 tp -60.46 -41.19 93.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.977 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 584' ' ' LEU . . . . . 0.46 HD13 HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -70.47 -31.43 68.57 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.63 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -64.37 -72.81 0.64 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.514 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 74.5 m -145.01 -87.47 0.11 Allowed 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.659 -0.318 . . . . 0.0 110.91 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.478 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptt? . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 120.866 0.365 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -110.75 156.6 20.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.431 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -147.92 173.34 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.113 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -117.53 136.62 53.12 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 13' ' ' ILE . 62.8 t -130.68 123.75 55.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.59 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 77.6 mttt -117.9 142.65 47.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -90.53 -165.17 1.29 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.021 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mt -66.74 -30.29 70.49 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.309 0.576 . . . . 0.0 110.266 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.14 -36.85 20.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.339 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.53 31.81 1.44 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.26 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.59 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 88.5 tttt -64.44 148.56 50.28 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.56 91.61 4.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.928 0.394 . . . . 0.0 110.256 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 37.0 mt -101.68 112.29 34.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.933 0.397 . . . . 0.0 111.237 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -87.18 122.99 31.72 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.667 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.465 HD12 HG21 ' A' ' 5' ' ' VAL . 11.4 mt -133.01 148.39 52.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.023 0.439 . . . . 0.0 111.333 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -99.1 133.26 43.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.322 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 m -152.55 -177.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -137.6 155.61 75.16 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -58.69 -33.16 98.13 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 121.848 1.699 . . . . 0.0 111.372 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -83.45 -0.72 51.32 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.483 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -74.08 142.75 45.62 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.008 0.433 . . . . 0.0 110.536 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 7.1 m -83.72 149.99 26.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.098 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.56 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 29.0 mm -59.32 -42.82 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.881 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.02 -35.23 74.61 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.05 0.452 . . . . 0.0 110.177 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 22' ' ' THR . 64.5 m-20 -60.1 -41.52 92.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.465 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 30' ' ' ILE . 41.3 t -63.7 -45.66 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 7.9 mmmm -52.66 -41.88 64.21 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.839 178.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.71 83.66 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.133 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.32 -45.01 92.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.632 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 26' ' ' VAL . 69.1 mt -60.94 -39.49 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.979 177.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -62.99 -36.74 84.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.295 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -69.53 -48.08 61.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.647 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -67.33 -55.84 12.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.008 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -86.39 -70.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.837 0.351 . . . . 0.0 111.441 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.92 -11.36 4.5 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.061 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.57 125.54 89.86 Favored Pre-proline 0 C--N 1.327 -0.382 0 C-N-CA 122.19 0.196 . . . . 0.0 110.658 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 78.1 Cg_exo -52.02 138.88 52.59 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.908 2.405 . . . . 0.0 112.153 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.4 Cg_exo -57.99 -26.4 74.76 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.915 2.41 . . . . 0.0 113.408 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.97 -17.0 61.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 111.314 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -101.96 1.27 36.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.319 0.58 . . . . 0.0 110.125 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.41 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 78.1 mt-30 -97.28 132.71 42.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.137 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.486 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 13.8 mmt180 -125.18 126.65 45.57 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.563 ' HB3' HD12 ' A' ' 50' ' ' LEU . 23.7 mt -105.8 109.91 22.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.223 0.535 . . . . 0.0 110.963 -178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -106.19 126.09 61.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.612 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -125.6 99.31 5.95 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.349 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' B' ' 560' ' ' LEU . . . 61.1 43.89 10.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.734 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.69 -31.2 3.98 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.65 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -78.89 123.11 26.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.766 0.317 . . . . 0.0 110.523 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -79.02 131.98 36.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.077 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 43' ' ' LEU . 45.2 mt -83.18 124.91 30.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.549 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -75.21 136.62 40.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.337 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.05 -30.36 70.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.631 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.0 20.7 38.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.215 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.9 mmt-85 -122.48 167.92 12.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.913 0.357 . . . . 0.0 110.077 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -110.5 167.96 9.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.756 0.312 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.5 mt -70.2 -10.39 58.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.259 0.552 . . . . 0.0 110.479 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.87 -24.78 24.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.758 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -38.17 82.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.248 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -90.82 4.54 51.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.97 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 59.85 83.43 0.13 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.769 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 tp -67.59 139.77 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.079 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -118.79 -177.63 3.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.951 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 pttp -82.53 150.3 27.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.11 41.72 20.08 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.592 0.557 . . . . 0.0 110.971 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.3 m -77.25 137.57 38.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.229 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -121.09 96.34 5.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.261 0.553 . . . . 0.0 111.182 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -75.89 128.79 35.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.482 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.415 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 51.1 m80 -105.27 117.65 34.54 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.075 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.3 tp -92.17 106.75 18.69 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.926 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.486 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 7.4 t -105.43 155.13 6.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.722 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.45 125.44 4.34 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -88.27 127.6 35.46 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.291 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 mt -72.59 156.56 38.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -100.23 -14.11 18.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.078 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.16 153.72 22.49 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.001 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 119.169 -0.795 . . . . 0.0 111.171 179.874 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.879 -0.489 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 1.5 m -119.98 85.19 34.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 120.665 0.269 . . . . 0.0 111.161 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -87.94 169.97 6.32 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.599 2.199 . . . . 0.0 111.544 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.45 124.07 33.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.83 0.347 . . . . 0.0 110.071 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 540' ' ' PHE . . . . . 0.417 ' CD1' ' HA ' ' B' ' 547' ' ' PHE . 21.1 m-85 -67.5 -18.9 65.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.481 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -22.9 66.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.243 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -68.87 126.13 92.5 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.08 -16.69 34.4 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.264 2.643 . . . . 0.0 113.611 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -79.0 -17.51 55.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.006 0.431 . . . . 0.0 110.174 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 13.1 t -101.26 -57.84 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.506 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 546' ' ' ARG . . . . . 0.459 ' C ' ' H ' ' B' ' 548' ' ' GLN . 16.0 mtm180 56.19 47.15 20.01 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.533 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 547' ' ' PHE . . . . . 0.42 ' CE2' HD12 ' B' ' 569' ' ' LEU . 0.2 OUTLIER 73.99 -31.18 0.21 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.205 -179.112 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . 0.459 ' H ' ' C ' ' B' ' 546' ' ' ARG . 19.7 tt0 69.04 -40.69 0.45 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.096 0.958 . . . . 0.0 113.455 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -92.91 -46.86 7.3 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.164 -0.335 . . . . 0.0 110.9 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -71.46 -24.95 62.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.138 0.494 . . . . 0.0 110.514 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.43 -22.1 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.958 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -88.46 -5.83 58.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.212 0.53 . . . . 0.0 109.911 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.0 -43.83 6.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.811 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 24.5 mt -69.57 -41.43 75.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.155 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 6.9 m -74.81 -12.61 60.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.018 0.437 . . . . 0.0 110.597 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -79.59 -15.72 57.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.298 0.571 . . . . 0.0 109.985 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 13.0 mmt -97.24 15.26 23.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.522 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 82.0 81.93 0.87 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.862 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -152.36 113.92 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 560' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 83.9 mt -80.62 -12.46 59.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.741 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -77.17 158.62 30.26 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -123.31 -50.53 1.89 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.668 0.271 . . . . 0.0 111.624 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -68.15 -47.3 68.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.872 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -51.08 -35.48 35.15 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.353 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.99 -41.81 99.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.93 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.449 ' O ' HG12 ' B' ' 570' ' ' ILE . 29.5 tp -65.31 -39.59 92.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.759 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -71.16 -44.7 64.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.128 0.489 . . . . 0.0 109.753 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.4 -37.21 72.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.871 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' B' ' 569' ' ' LEU . 0.5 OUTLIER -70.77 -37.41 73.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.573 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.449 HG12 ' O ' ' B' ' 566' ' ' LEU . 42.4 mm -73.96 -45.74 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.528 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.82 70.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.129 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 16.2 p -83.94 -33.82 24.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.866 0.365 . . . . 0.0 111.269 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 98.08 37.81 4.26 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.566 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 89.31 23.3 34.81 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.605 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 575' ' ' ASP . . . . . 0.41 ' HB3' ' HB3' ' B' ' 578' ' ' ALA . 7.3 t70 -113.47 100.72 8.74 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 576' ' ' ILE . . . . . 0.537 ' O ' HG13 ' B' ' 580' ' ' ILE . 11.3 mt -57.16 -56.55 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.368 -178.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -45.42 81.47 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . 0.41 ' HB3' ' HB3' ' B' ' 575' ' ' ASP . . . -62.34 -33.89 75.58 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.409 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -66.34 -49.19 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.82 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 576' ' ' ILE . 45.3 mt -53.85 -45.44 62.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.764 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 581' ' ' GLU . . . . . 0.475 ' HA ' HD23 ' B' ' 584' ' ' LEU . 46.7 mt-10 -62.1 -46.42 89.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.268 0.556 . . . . 0.0 110.377 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -66.65 -35.6 80.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.547 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 14.0 tp -71.03 -33.81 70.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.854 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 584' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' B' ' 581' ' ' GLU . 0.3 OUTLIER -66.89 -24.0 66.06 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.07 0.462 . . . . 0.0 109.767 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -84.82 -62.87 1.65 Allowed Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 9.6 m -153.46 -81.15 0.09 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.859 0.361 . . . . 0.0 110.349 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 54.6 m . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.308 -0.853 . . . . 0.0 109.315 -179.883 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.585 ' SD ' ' HG2' ' A' ' 63' ' ' LYS . 27.0 ptt? . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.982 0.42 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -96.75 154.33 17.35 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.355 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.6 pt -150.33 169.94 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.983 0.421 . . . . 0.0 110.109 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -124.75 138.08 54.3 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.399 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 89.8 t -121.9 109.75 25.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 25.5 tttp -111.4 121.02 44.13 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.213 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.527 HG22 ' HB3' ' A' ' 69' ' ' LEU . 77.6 p -87.04 164.26 16.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.642 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.44 ' CD2' HG13 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -66.4 -19.78 65.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 179.253 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -5.41 50.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.11 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.28 20.75 34.5 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.287 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 33.0 tttm -96.28 138.77 33.39 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.6 m -124.18 113.66 18.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.995 0.426 . . . . 0.0 110.163 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -117.45 134.6 60.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.348 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -94.33 126.36 39.53 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.16 167.34 20.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.941 0.4 . . . . 0.0 111.287 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -118.25 139.44 51.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.79 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.401 ' HA ' ' NZ ' ' A' ' 29' ' ' LYS . 13.5 m -149.26 175.54 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 15.6 mm-40 -121.57 158.02 55.07 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.0 -27.82 86.1 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.335 2.023 . . . . 0.0 112.115 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -99.16 20.92 12.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.182 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.61 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -79.26 140.85 37.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.975 0.417 . . . . 0.0 110.857 -179.565 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -85.47 148.36 26.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.376 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 54' ' ' ARG . 47.8 mm -55.68 -43.44 73.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 121.109 0.481 . . . . 0.0 110.324 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.34 -36.81 84.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.674 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -62.83 -38.69 91.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.261 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.2 t -64.89 -46.22 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -52.49 -42.0 63.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.217 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.72 97.57 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.022 0.439 . . . . 0.0 110.234 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' A' ' 17' ' ' VAL . 95.1 mttt -60.61 -46.47 90.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.691 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -61.06 -39.91 83.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.212 177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -62.03 -35.08 77.5 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.351 0.596 . . . . 0.0 110.19 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -71.73 -47.82 51.28 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.465 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -66.47 -60.18 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.304 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -85.07 -56.35 3.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.94 -5.42 9.02 Favored Glycine 0 C--N 1.321 -0.254 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.094 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.2 mt -71.25 126.04 91.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 40.8 Cg_exo -56.83 139.75 89.8 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.619 2.212 . . . . 0.0 111.879 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.3 Cg_exo -55.14 -25.34 45.39 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.023 2.482 . . . . 0.0 113.071 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -72.52 -22.79 60.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.14 0.495 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -97.6 4.11 50.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.439 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -102.25 129.9 48.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.75 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -124.42 131.58 53.5 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mt -109.88 118.12 35.63 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -112.66 120.4 62.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.646 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -128.54 111.96 13.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.517 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.87 43.83 26.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.772 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.07 2.82 83.77 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.203 -0.522 . . . . 0.0 113.439 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -113.01 124.91 53.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.998 0.399 . . . . 0.0 110.798 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -79.96 120.66 24.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.118 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -81.37 120.85 25.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.136 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.44 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 50.0 mt-10 -81.01 148.47 29.72 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.67 -35.79 73.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.857 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.64 37.74 3.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.204 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.44 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 25.9 mmt180 -134.1 170.58 15.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.855 0.359 . . . . 0.0 110.161 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.6 p -120.08 169.97 9.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.06 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.516 HD22 HD12 ' A' ' 61' ' ' ILE . 65.1 mt -70.43 -13.2 62.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.298 0.57 . . . . 0.0 110.192 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -26.18 30.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -64.24 -42.84 96.34 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.367 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -94.93 4.59 53.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 54.37 61.08 3.18 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.818 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.516 HD12 HD22 ' A' ' 56' ' ' LEU . 62.7 mt -83.38 126.76 40.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.467 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -80.66 -179.24 7.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.969 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 50.7 mtmt -88.65 151.34 22.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.849 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 61.19 39.18 16.14 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.499 0.666 . . . . 0.0 109.847 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.6 m -89.81 158.06 17.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.065 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.3 m -110.25 110.74 21.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.581 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 5.7 mp -102.64 140.78 36.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.133 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 76.3 m80 -106.6 116.33 31.73 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.527 ' HB3' HG22 ' A' ' 7' ' ' THR . 13.4 tp -91.07 129.4 37.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.272 0.558 . . . . 0.0 110.397 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.44 HG13 ' CD2' ' A' ' 8' ' ' LEU . 65.1 t -110.73 138.06 40.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.678 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.8 mt -99.23 -172.33 2.25 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -146.39 99.32 3.21 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.064 0.459 . . . . 0.0 110.115 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.9 mt -78.11 87.66 4.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.035 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -71.45 -24.15 61.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.313 0.578 . . . . 0.0 109.491 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.53 137.75 11.5 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.248 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.813 -0.993 . . . . 0.0 111.495 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.842 0 N-CA-C 111.799 -0.52 . . . . 0.0 111.799 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.81 78.47 69.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.873 0.368 . . . . 0.0 110.943 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -89.09 170.06 5.02 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.562 2.175 . . . . 0.0 112.657 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -85.21 135.12 34.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.276 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -77.06 -15.36 59.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.069 0.461 . . . . 0.0 110.219 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -66.86 -23.3 66.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.314 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 542' ' ' ASN . . . . . 0.47 ' OD1' ' HG2' ' B' ' 544' ' ' GLU . 32.2 t-20 -73.44 123.01 89.03 Favored Pre-proline 0 C--O 1.237 0.397 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.344 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.49 -28.72 37.16 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.528 2.818 . . . . 0.0 113.813 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 544' ' ' GLU . . . . . 0.47 ' HG2' ' OD1' ' B' ' 542' ' ' ASN . 9.1 pt-20 -65.71 -32.44 74.0 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.452 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 40.5 t -81.79 -53.74 11.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.822 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 546' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 59.7 37.21 22.34 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.973 0.416 . . . . 0.0 110.27 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 547' ' ' PHE . . . . . 0.45 ' HB3' ' HB2' ' B' ' 550' ' ' GLN . 0.2 OUTLIER 73.96 -6.99 1.71 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.263 -179.148 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 65.37 -63.28 0.2 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -91.1 -37.29 13.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 550' ' ' GLN . . . . . 0.45 ' HB2' ' HB3' ' B' ' 547' ' ' PHE . 15.3 mm100 -66.95 -29.08 68.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 111.136 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 14.1 tp -64.74 -22.7 67.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.508 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -78.6 -16.43 57.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.184 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -93.3 -40.91 10.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.372 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 4.3 mt -69.83 -40.46 75.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.637 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 13.3 m -74.58 -18.92 60.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.48 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.47 -15.22 63.22 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.331 0.586 . . . . 0.0 110.229 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 557' ' ' MET . . . . . 0.534 ' HG3' HD13 ' B' ' 580' ' ' ILE . 47.6 mmm -94.64 12.57 27.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.305 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 71.73 70.04 1.28 Allowed Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.488 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -125.74 133.53 52.05 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 19.4 mt -94.95 -10.37 31.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.783 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -83.35 157.45 22.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 73.8 mmt-85 -129.47 -50.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.622 0.248 . . . . 0.0 111.198 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -64.67 -49.64 70.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.213 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 564' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' B' ' 583' ' ' LEU . . . -58.65 -36.62 74.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.02 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.29 -43.84 98.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.327 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.653 ' O ' HG12 ' B' ' 570' ' ' ILE . 65.6 tp -68.39 -35.78 78.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.891 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -69.7 -45.7 67.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.488 0.661 . . . . 0.0 109.698 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -58.75 -32.6 69.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.672 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.486 ' HA ' HD22 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -74.24 -35.19 63.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.567 179.607 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.653 HG12 ' O ' ' B' ' 566' ' ' LEU . 44.4 mm -71.11 -42.98 75.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -60.3 -35.98 76.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.716 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 4.7 p -85.07 -44.26 13.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.853 0.359 . . . . 0.0 111.352 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 96.24 2.91 60.37 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.422 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 147.08 -24.34 1.59 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.291 -0.956 . . . . 0.0 112.877 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.82 85.64 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.167 0.508 . . . . 0.0 110.131 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 31.1 mt -58.0 -42.94 83.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.693 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -45.31 94.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.481 0.181 . . . . 0.0 111.374 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -65.04 -35.42 81.1 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.814 0.34 . . . . 0.0 110.251 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -61.04 -57.26 13.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.988 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . 0.534 HD13 ' HG3' ' B' ' 557' ' ' MET . 64.7 mt -52.48 -43.96 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.05 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -61.73 -53.3 57.91 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.944 0.402 . . . . 0.0 111.471 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -69.94 -35.86 74.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.039 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . 0.453 HD11 ' HB1' ' B' ' 564' ' ' ALA . 59.8 tp -56.37 -49.15 75.24 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 584' ' ' LEU . . . . . 0.404 ' CD2' HG11 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -73.59 -26.08 60.64 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.705 -179.386 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -73.87 -41.68 40.62 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.003 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 49.7 m -153.05 -78.83 0.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 C--O 1.246 0.904 0 CA-C-O 117.672 -1.156 . . . . 0.0 108.891 -179.607 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.651 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 22.6 ptt? . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -88.12 150.77 23.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.684 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.467 HG12 HG22 ' A' ' 17' ' ' VAL . 2.7 pt -152.53 178.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -131.28 135.71 47.55 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.529 HG21 HD12 ' A' ' 15' ' ' LEU . 61.0 t -118.09 106.06 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.638 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 24.7 mtpp -106.29 121.17 43.66 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.671 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 74.5 p -79.38 159.86 26.93 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.434 HD22 ' H ' ' A' ' 71' ' ' LEU . 2.4 pt? -59.36 -26.69 65.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.042 0.448 . . . . 0.0 110.556 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -14.97 63.04 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.583 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.05 32.57 6.39 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.065 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.638 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 84.6 tttt -108.1 149.22 28.76 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m -123.99 114.66 20.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.092 0.472 . . . . 0.0 111.688 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mp -112.52 126.62 69.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.111 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.63 143.6 30.88 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.529 HD12 HG21 ' A' ' 5' ' ' VAL . 15.3 mt -152.13 164.05 38.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.933 0.397 . . . . 0.0 111.525 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.34 136.51 53.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.651 ' O ' ' HG2' ' A' ' 1' ' ' MET . 2.8 m -155.84 154.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 53.7 mm-40 -107.53 155.7 39.17 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.51 -26.85 56.47 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.152 1.901 . . . . 0.0 112.278 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.07 6.11 47.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.975 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -76.69 146.56 38.0 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.584 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -84.61 152.67 23.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.462 -179.644 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 54' ' ' ARG . 48.3 mm -62.1 -41.35 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.17 0.51 . . . . 0.0 110.051 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -65.53 -37.99 88.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.979 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' HB2' ' OG1' ' A' ' 22' ' ' THR . 17.9 t30 -60.04 -38.24 82.15 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.911 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 22' ' ' THR . 49.7 t -66.25 -44.4 91.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -53.9 -38.1 64.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.936 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.28 -41.35 94.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.025 0.44 . . . . 0.0 109.901 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -60.79 -44.66 96.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.731 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.91 -37.48 78.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.019 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.414 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.2 tt0 -64.82 -34.76 79.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.194 0.521 . . . . 0.0 109.79 177.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -69.88 -46.88 64.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.294 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -72.23 -58.99 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.954 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -86.68 -52.28 5.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 111.66 19.65 7.29 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.152 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.2 mt -93.49 130.61 34.79 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.71 132.87 42.18 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.44 2.093 . . . . 0.0 111.76 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -51.11 -24.57 14.92 Favored 'Trans proline' 0 N--CA 1.476 0.465 0 C-N-CA 123.609 2.872 . . . . 0.0 114.079 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.36 -24.04 61.22 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.406 0.622 . . . . 0.0 110.713 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -98.74 -1.32 40.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.121 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -94.46 128.15 40.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.724 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -123.01 125.07 44.54 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.5 mt -107.1 113.98 27.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.117 0.484 . . . . 0.0 110.891 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -114.35 130.25 68.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.821 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -131.92 119.84 21.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.694 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' O ' ' HG ' ' B' ' 560' ' ' LEU . . . 63.41 14.51 7.99 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.646 0.591 . . . . 0.0 111.765 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.95 -6.9 48.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.616 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -104.94 133.36 49.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.565 0.221 . . . . 0.0 110.465 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -81.19 127.88 33.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -80.19 121.72 25.95 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.107 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.75 144.25 55.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.609 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.38 -40.93 83.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.63 45.92 3.51 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.813 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' O ' HG12 ' A' ' 23' ' ' ILE . 65.5 mmt-85 -139.81 170.56 15.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.6 p -120.5 170.31 9.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.141 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD22 HG13 ' A' ' 61' ' ' ILE . 57.7 mt -72.32 -5.93 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.219 0.533 . . . . 0.0 110.782 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -19.04 26.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.668 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -70.68 -50.58 35.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.898 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -90.63 3.54 53.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.4 t30 57.49 83.7 0.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.367 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.42 HG13 HD22 ' A' ' 56' ' ' LEU . 44.8 mm -95.96 125.52 48.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.221 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -89.87 -177.94 5.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.012 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 tmmt? -80.76 142.49 33.73 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 61.57 36.17 16.98 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.418 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.6 m -79.66 153.78 29.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.321 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -96.7 90.05 5.16 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.141 0.496 . . . . 0.0 111.323 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -84.0 130.57 34.88 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.588 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 58.3 m80 -104.72 116.4 31.96 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 7' ' ' THR . 19.4 tp -94.31 112.11 23.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.517 HG11 HD21 ' B' ' 584' ' ' LEU . 23.8 t -100.14 142.72 14.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.133 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.434 ' H ' HD22 ' A' ' 8' ' ' LEU . 8.8 mt -130.57 116.26 17.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.506 ' HD3' ' OE1' ' B' ' 581' ' ' GLU . 0.0 OUTLIER -84.15 114.95 22.15 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.4 mt -80.41 135.58 36.19 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.068 0.461 . . . . 0.0 110.991 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -89.47 -34.58 16.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.675 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.36 -143.08 13.99 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.19 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 119.037 -0.868 . . . . 0.0 111.418 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 17.0 m -141.43 82.66 14.13 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.917 0.389 . . . . 0.0 110.253 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -84.21 172.93 9.22 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.902 2.401 . . . . 0.0 112.1 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -93.21 124.87 37.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.919 0.39 . . . . 0.0 110.063 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -66.75 -12.95 60.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.289 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -72.68 -23.27 60.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.523 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.14 126.72 92.51 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.403 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 543' ' ' PRO . . . . . 0.415 ' O ' ' HG3' ' B' ' 546' ' ' ARG . 36.5 Cg_endo -65.47 -12.76 36.47 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.678 2.252 . . . . 0.0 112.795 -179.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.42 -27.44 31.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.874 0.369 . . . . 0.0 110.425 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 56.6 t -75.59 -49.73 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.002 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 546' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' B' ' 543' ' ' PRO . 8.5 mtm180 57.97 28.1 15.72 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.289 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 73.16 -20.62 0.28 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.557 0.743 . . . . 0.0 112.203 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' B' ' 546' ' ' ARG . 26.0 mt-30 70.28 -48.68 0.64 Allowed 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 178.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -97.66 -41.86 7.92 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -176.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -68.94 -39.3 79.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 2.0 tp -68.06 -18.68 64.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.688 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -76.8 -20.37 56.49 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -94.91 -34.04 12.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.391 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 29.9 mt -72.9 -41.17 64.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.983 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 6.0 t -68.28 -24.91 64.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.305 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -76.1 -27.05 56.99 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.216 0.531 . . . . 0.0 109.743 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 20.7 mmt -82.13 -3.31 54.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.497 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 86.67 99.74 0.8 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.856 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -152.59 149.89 28.94 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 560' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 32.2 mt -113.56 -27.83 7.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.716 0.294 . . . . 0.0 111.653 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -89.57 98.75 11.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.294 0.569 . . . . 0.0 110.633 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -66.32 -43.91 84.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.027 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -63.19 -51.38 66.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.072 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 564' ' ' ALA . . . . . 0.405 ' HB1' HD11 ' B' ' 583' ' ' LEU . . . -55.46 -36.25 66.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.217 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -62.2 -41.8 98.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.056 0.455 . . . . 0.0 110.584 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 56.0 tp -65.99 -36.85 84.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.384 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -73.14 -45.62 55.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.165 0.507 . . . . 0.0 110.04 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.04 -37.33 71.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.9 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' B' ' 569' ' ' LEU . 0.4 OUTLIER -70.88 -36.14 72.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.778 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 33.5 mm -75.13 -43.77 44.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.27 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.11 70.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.884 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.406 HG21 ' N ' ' B' ' 579' ' ' ALA . 16.3 p -89.78 -9.6 48.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.767 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 79.43 16.32 78.24 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.998 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . 0.445 ' HA2' HD13 ' B' ' 569' ' ' LEU . . . 114.9 -9.85 21.12 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.311 -0.947 . . . . 0.0 113.162 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -75.1 98.5 3.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.001 0.429 . . . . 0.0 110.56 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 576' ' ' ILE . . . . . 0.412 ' O ' HG13 ' B' ' 580' ' ' ILE . 66.6 mt -56.98 -50.96 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.999 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -47.51 81.58 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -62.13 -34.58 76.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.392 . . . . 0.0 110.492 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 579' ' ' ALA . . . . . 0.406 ' N ' HG21 ' B' ' 572' ' ' THR . . . -63.64 -51.95 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.597 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 576' ' ' ILE . 69.1 mt -52.95 -48.05 52.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.163 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 581' ' ' GLU . . . . . 0.506 ' OE1' ' HD3' ' A' ' 72' ' ' ARG . 25.5 mt-10 -59.5 -51.72 68.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.161 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -67.69 -38.62 83.94 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . 0.405 HD11 ' HB1' ' B' ' 564' ' ' ALA . 14.0 tp -60.88 -42.29 97.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -177.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 584' ' ' LEU . . . . . 0.517 HD21 HG11 ' A' ' 70' ' ' VAL . 2.4 pp -97.08 -2.48 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.283 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -73.49 -75.79 0.72 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.445 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 73.2 m -140.2 -76.33 0.33 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.857 0.361 . . . . 0.0 110.386 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.247 0.927 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.421 179.921 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 120.839 0.352 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -101.53 154.74 18.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.001 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.6 pt -148.2 175.11 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.828 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -125.73 139.36 53.6 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 12' ' ' THR . 76.7 t -127.79 127.68 68.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.822 0.344 . . . . 0.0 110.574 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.72 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 24.6 mtpp -125.29 129.92 50.97 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -80.51 178.02 8.6 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.974 0.416 . . . . 0.0 111.662 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' HG ' ' ND2' ' B' ' 577' ' ' ASN . 35.9 tp -61.67 -28.34 69.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.651 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.89 -44.68 22.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.719 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.4 9.28 1.63 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.609 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.72 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 77.8 tttt -68.59 149.85 48.7 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 1.4 m -120.74 122.99 41.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.859 0.362 . . . . 0.0 111.081 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.2 mt -122.79 125.15 71.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -85.99 128.52 34.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.075 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.1 157.28 46.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.153 0.501 . . . . 0.0 111.733 -179.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -112.43 136.3 52.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.037 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 m -148.79 -179.46 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.523 ' O ' HD12 ' A' ' 56' ' ' LEU . 15.8 mm-40 -123.21 157.24 61.71 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -58.1 -36.21 98.12 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.384 2.056 . . . . 0.0 112.084 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -95.56 16.7 16.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.415 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.419 ' HB2' ' H ' ' A' ' 18' ' ' GLU . 6.9 t0 -77.52 134.42 38.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.052 0.453 . . . . 0.0 110.34 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.21 146.78 38.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.348 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.573 HG23 HD12 ' A' ' 43' ' ' LEU . 35.8 mm -54.81 -42.05 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.695 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -57.06 -42.03 79.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.655 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -59.17 -42.6 91.18 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.222 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 30' ' ' ILE . 18.5 t -63.05 -48.65 86.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.762 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -55.27 -39.21 69.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.231 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.04 94.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.172 0.511 . . . . 0.0 109.829 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.74 -46.71 88.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.625 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 26' ' ' VAL . 72.0 mt -59.08 -40.12 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.333 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.27 -34.05 77.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.122 0.487 . . . . 0.0 110.545 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -68.0 -45.98 72.58 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.294 0.568 . . . . 0.0 110.201 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -71.66 -60.51 2.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.463 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -80.88 -55.64 4.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.28 3.01 15.32 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.967 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 mt -75.69 124.05 88.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 46.5 Cg_exo -56.65 137.86 82.65 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.478 2.118 . . . . 0.0 111.683 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.3 Cg_exo -55.4 -27.09 56.63 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.994 2.463 . . . . 0.0 112.953 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -72.22 -16.1 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.232 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -109.04 1.97 20.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.011 0.434 . . . . 0.0 110.613 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -95.85 119.27 34.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.0 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 63.1 mtt180 -118.04 127.86 54.21 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.573 HD12 HG23 ' A' ' 23' ' ' ILE . 30.4 mt -106.06 112.15 25.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.378 0.608 . . . . 0.0 111.572 -177.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -107.38 131.44 57.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -138.72 121.93 16.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.534 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.26 30.71 19.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.741 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.409 ' CA ' ' HA ' ' B' ' 559' ' ' PHE . . . 80.79 11.84 83.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.299 179.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -124.77 149.52 47.26 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.505 ' HB3' HD11 ' B' ' 584' ' ' LEU . 8.1 pt20 -88.89 135.73 33.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.074 0.464 . . . . 0.0 111.024 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.2 mt -94.89 124.53 38.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.572 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 42.3 mt-10 -76.76 145.58 38.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.711 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -63.26 -31.86 73.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.818 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.29 22.21 10.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.907 -0.663 . . . . 0.0 113.579 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.483 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 32.0 mmt180 -122.38 164.04 18.7 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.0 p -109.86 170.18 8.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.25 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 18' ' ' GLU . 59.4 mt -70.69 -9.75 57.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.296 0.57 . . . . 0.0 110.182 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.5 -23.44 20.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.328 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.28 -43.54 94.49 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.354 0.597 . . . . 0.0 111.054 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -92.44 5.8 49.41 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.059 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.4 m120 55.23 41.68 31.17 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.329 0.585 . . . . 0.0 110.46 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.5 mt -69.19 130.27 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.847 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.46 169.48 13.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.982 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -72.79 163.79 27.57 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 58.29 33.84 23.51 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 123.578 0.549 . . . . 0.0 110.454 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.61 154.38 32.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.95 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -108.83 85.85 2.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.261 0.553 . . . . 0.0 110.621 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.55 127.99 34.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.91 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.633 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 45.8 m80 -105.56 117.28 33.61 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.225 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 42' ' ' ARG . 13.9 tp -88.78 101.71 14.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.613 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.0 t -86.19 139.06 17.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.242 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.462 ' O ' ' HG2' ' B' ' 581' ' ' GLU . 25.1 mt -114.49 173.62 6.37 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -132.23 116.62 17.18 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.9 mt -72.85 113.12 9.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.335 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -91.93 -13.61 30.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.106 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.67 132.34 5.56 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.475 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.311 -1.272 . . . . 0.0 111.676 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 112.13 -0.388 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 12.1 m -142.7 91.15 7.5 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 122.637 -0.331 . . . . 0.0 110.578 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -87.36 171.72 6.28 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 122.833 2.355 . . . . 0.0 111.873 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 539' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' B' ' 542' ' ' ASN . 3.3 pt-20 -83.5 128.19 34.32 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -70.52 -18.7 62.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -69.45 -22.54 63.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.837 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 542' ' ' ASN . . . . . 0.466 ' HB2' ' HG3' ' B' ' 539' ' ' GLU . 6.0 t-20 -66.22 123.25 84.81 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.011 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.36 -12.98 35.69 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.868 2.379 . . . . 0.0 112.63 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 544' ' ' GLU . . . . . 0.427 ' HG2' ' CG ' ' B' ' 542' ' ' ASN . 10.1 pt-20 -78.95 -14.42 59.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.173 0.511 . . . . 0.0 109.766 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 47.1 t -109.53 -55.28 5.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 546' ' ' ARG . . . . . 0.545 ' HA ' HD13 ' B' ' 566' ' ' LEU . 3.5 mtm180 59.36 44.12 15.65 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.049 -179.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 547' ' ' PHE . . . . . 0.429 ' C ' ' H ' ' B' ' 549' ' ' GLN . 2.6 m-85 74.21 -33.06 0.24 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.806 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . 0.411 ' H ' ' C ' ' B' ' 546' ' ' ARG . 4.1 tt0 70.79 -33.59 0.27 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.824 0.85 . . . . 0.0 112.144 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 549' ' ' GLN . . . . . 0.429 ' H ' ' C ' ' B' ' 547' ' ' PHE . 13.4 mm100 -95.01 -49.23 5.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.002 0.43 . . . . 0.0 110.546 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.14 -34.66 76.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.254 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 14.4 tp -66.61 -16.03 63.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.134 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' B' ' 549' ' ' GLN . 45.9 tp10 -80.92 -26.0 37.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.774 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -93.05 -35.56 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.889 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 30.1 mt -64.82 -38.61 91.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.148 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 5.2 m -82.53 -11.15 58.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.565 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -76.94 -24.38 52.38 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.646 0.736 . . . . 0.0 109.199 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 20.2 mmt -92.24 7.34 43.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.498 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 82.23 88.84 0.67 Allowed Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.967 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 559' ' ' PHE . . . . . 0.409 ' HA ' ' CA ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER -152.21 123.49 7.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.636 0.255 . . . . 0.0 110.515 -179.773 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 92.2 mt -95.05 -12.23 26.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.772 0.32 . . . . 0.0 110.97 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 561' ' ' ASN . . . . . 0.432 ' HB3' ' OD1' ' B' ' 565' ' ' ASN . 5.3 t-20 -67.9 145.32 54.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.199 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -116.58 -65.8 1.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.609 0.225 . . . . 0.0 111.609 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -57.53 -59.41 5.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.867 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 564' ' ' ALA . . . . . 0.608 ' HB1' HD11 ' B' ' 583' ' ' LEU . . . -51.06 -37.53 46.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.877 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . 0.432 ' OD1' ' HB3' ' B' ' 561' ' ' ASN . 5.1 m-20 -61.52 -39.11 89.84 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.039 0.447 . . . . 0.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.545 HD13 ' HA ' ' B' ' 546' ' ' ARG . 42.0 tp -68.04 -40.13 82.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.853 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -72.13 -40.04 68.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.201 0.524 . . . . 0.0 109.897 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -59.28 -37.01 76.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.363 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.487 ' HA ' HD22 ' B' ' 569' ' ' LEU . 0.5 OUTLIER -71.28 -38.78 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.106 179.477 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.416 HG12 ' O ' ' B' ' 566' ' ' LEU . 33.4 mm -67.03 -46.11 85.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.046 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -59.09 -33.95 71.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.483 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.427 HG21 ' N ' ' B' ' 579' ' ' ALA . 10.4 p -89.92 -27.03 20.12 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 83.46 20.42 60.28 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.7 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 122.95 -18.2 8.0 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.24 -0.981 . . . . 0.0 113.684 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -75.34 92.43 2.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.173 0.511 . . . . 0.0 110.461 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 42.9 mt -55.67 -47.98 78.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.109 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . 0.448 ' ND2' ' HG ' ' A' ' 8' ' ' LEU . 7.1 m120 -57.88 -46.39 84.95 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -63.1 -37.08 85.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.949 0.404 . . . . 0.0 110.54 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 579' ' ' ALA . . . . . 0.427 ' N ' HG21 ' B' ' 572' ' ' THR . . . -62.49 -55.4 27.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.786 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 91.7 mt -52.93 -44.3 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.224 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 581' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 44.8 mt-10 -60.41 -56.49 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.463 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 19.7 ttt85 -63.83 -37.04 85.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.978 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . 0.608 HD11 ' HB1' ' B' ' 564' ' ' ALA . 17.6 tp -70.62 -15.76 62.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.717 -178.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 584' ' ' LEU . . . . . 0.505 HD11 ' HB3' ' A' ' 49' ' ' GLN . 19.3 tp -73.76 -28.46 61.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.925 0.393 . . . . 0.0 110.748 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -109.07 -38.85 1.77 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.508 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 586' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' B' ' 583' ' ' LEU . 13.0 m -133.74 -158.04 0.85 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.736 0.303 . . . . 0.0 110.384 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.446 -0.787 . . . . 0.0 109.468 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.783 0.325 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -105.16 155.73 18.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.768 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.7 pt -147.27 169.66 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.088 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -121.77 135.93 54.93 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.471 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 58.9 t -124.24 124.06 67.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.655 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 93.1 mttt -117.38 122.62 44.34 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.454 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.87 -177.73 6.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.99 -29.15 67.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.625 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -84.89 3.45 38.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.25 31.22 57.59 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.191 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.655 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 73.9 tttt -78.11 156.89 29.7 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -117.01 94.84 4.74 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.839 0.352 . . . . 0.0 110.59 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.3 mt -101.24 118.86 48.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.254 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.95 132.18 36.11 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.067 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.19 163.94 31.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.103 0.478 . . . . 0.0 111.443 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -112.54 135.22 53.5 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.379 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.1 m -146.82 -177.25 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.235 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 14.8 mm-40 -133.63 159.34 72.87 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.97 -30.35 91.49 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.12 1.88 . . . . 0.0 111.113 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.03 26.86 4.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.965 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -91.06 137.47 32.34 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.301 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 26' ' ' VAL . 37.5 p -87.43 152.54 22.16 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.2 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.6 mm -59.06 -37.56 68.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.91 0.386 . . . . 0.0 110.129 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -61.3 -40.21 93.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.749 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -66.8 -39.71 87.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.578 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 22' ' ' THR . 40.0 t -62.61 -49.97 81.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -54.08 -35.88 62.54 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.961 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.43 -42.51 92.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.139 0.495 . . . . 0.0 110.387 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -60.54 -49.75 76.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.308 178.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.2 mt -60.68 -37.48 75.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.166 0.508 . . . . 0.0 110.143 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -61.38 -37.09 82.14 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.436 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.95 -46.7 50.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.471 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -65.87 -65.91 0.62 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.655 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -78.42 -52.42 8.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.722 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.45 -1.6 14.1 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.925 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.401 ' H ' HG13 ' A' ' 36' ' ' ILE . 14.9 mt -69.45 127.51 92.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.55 132.66 36.39 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.474 2.116 . . . . 0.0 111.648 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -52.01 -32.27 47.67 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.089 2.526 . . . . 0.0 113.341 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -69.11 -14.38 62.97 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.198 0.523 . . . . 0.0 111.234 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -109.52 4.04 21.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.066 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -104.31 123.4 47.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.411 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.429 ' O ' HD12 ' A' ' 69' ' ' LEU . 77.4 mtt180 -122.24 135.49 54.76 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HB3' HD12 ' A' ' 50' ' ' LEU . 17.2 mt -110.57 121.17 44.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.224 0.535 . . . . 0.0 112.398 -177.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.68 129.9 66.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.743 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -130.77 109.51 10.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.762 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.74 20.7 10.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.906 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.82 -4.66 49.99 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.816 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -99.61 138.29 36.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.526 0.203 . . . . 0.0 110.503 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -87.94 118.69 27.66 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' A' ' 43' ' ' LEU . 12.8 mt -80.52 119.71 23.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.128 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.492 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 14.4 mt-10 -77.1 149.94 35.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.433 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -47.27 82.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.9 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.4 45.03 2.99 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.261 -0.495 . . . . 0.0 113.571 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.492 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.6 mmt180 -132.51 164.76 25.88 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 21.2 p -113.67 159.53 19.58 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.264 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.3 mt -67.61 -10.39 51.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.22 0.533 . . . . 0.0 110.48 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -22.24 29.57 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.762 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -67.67 -50.66 56.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.979 0.419 . . . . 0.0 110.911 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -87.93 5.42 40.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.411 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 56.36 51.27 11.75 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.661 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.6 mm -79.3 103.15 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.023 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -82.4 -176.59 6.29 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.308 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -74.21 159.8 32.03 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.948 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 65.0 12.54 7.98 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.01 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.0 m -73.5 150.48 41.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.602 0.239 . . . . 0.0 110.736 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.3 m -105.85 102.11 11.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.187 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 6.1 mp -92.69 133.27 36.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.375 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.484 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 75.4 m80 -104.22 118.28 36.26 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.869 0.366 . . . . 0.0 111.01 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 42' ' ' ARG . 27.7 tp -91.29 117.52 29.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.2 t -99.19 131.83 45.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.331 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.1 mt -114.87 88.17 2.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.726 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.448 ' HD3' ' OE1' ' B' ' 581' ' ' GLU . 0.0 OUTLIER -80.62 116.51 20.69 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.9 mt -101.17 165.83 11.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -87.86 -19.08 27.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.684 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.35 -154.38 27.88 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.023 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.92 -0.934 . . . . 0.0 111.78 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 24.3 m -120.87 89.71 45.87 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-O 120.798 0.333 . . . . 0.0 110.24 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.65 168.38 12.7 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.628 2.219 . . . . 0.0 112.266 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -96.3 125.68 40.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -70.26 -11.36 60.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.29 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -74.52 -16.85 60.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.996 0.427 . . . . 0.0 110.206 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -76.19 124.84 88.35 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.016 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.86 -8.88 19.2 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.971 2.447 . . . . 0.0 113.376 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -85.26 -19.22 31.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.094 0.473 . . . . 0.0 110.345 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 59.1 t -92.46 -45.61 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.256 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 546' ' ' ARG . . . . . 0.403 ' C ' ' H ' ' B' ' 548' ' ' GLN . 1.5 mtt180 56.7 39.08 29.89 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.535 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 75.22 -17.24 0.51 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.577 0.751 . . . . 0.0 111.625 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . 0.403 ' H ' ' C ' ' B' ' 546' ' ' ARG . 13.0 tt0 68.22 -52.27 0.54 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -93.55 -40.58 10.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.274 -0.266 . . . . 0.0 111.694 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -69.55 -29.52 67.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.077 0.465 . . . . 0.0 110.748 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' B' ' 555' ' ' SER . 15.1 tp -62.52 -24.25 67.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.709 179.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -80.41 -15.32 57.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.696 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -95.13 -36.5 11.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.956 0.408 . . . . 0.0 110.087 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.25 -37.32 61.06 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 555' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' B' ' 551' ' ' LEU . 0.3 OUTLIER -71.12 -18.76 62.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.892 178.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.44 -23.69 63.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.129 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 557' ' ' MET . . . . . 0.487 ' HG3' HD13 ' B' ' 580' ' ' ILE . 23.9 mmt -95.77 -11.89 26.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.192 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 87.52 116.31 1.15 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.785 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -154.05 128.56 9.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 26.0 mt -71.78 -28.56 63.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.457 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -85.8 157.02 20.34 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.041 0.448 . . . . 0.0 110.727 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -122.21 -43.97 2.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.782 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -69.42 -42.99 74.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.571 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 564' ' ' ALA . . . . . 0.544 ' HB1' HD11 ' B' ' 583' ' ' LEU . . . -56.2 -36.27 68.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.891 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -61.69 -41.88 98.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.332 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 46.0 tp -64.74 -36.16 83.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.873 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -75.09 -40.45 60.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.907 0.384 . . . . 0.0 110.445 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 568' ' ' ALA . . . . . 0.517 ' HB2' HD13 ' B' ' 583' ' ' LEU . . . -56.8 -35.82 69.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.044 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' B' ' 569' ' ' LEU . 0.7 OUTLIER -72.66 -33.74 66.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.925 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 21.8 mm -76.32 -42.35 36.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.843 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -57.84 -40.77 80.85 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.215 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 11.5 p -80.37 -50.84 9.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.38 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 109.85 1.43 30.38 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.178 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 147.48 -24.39 1.53 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.55 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -74.21 92.12 2.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.011 0.434 . . . . 0.0 110.689 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 78.2 mt -61.56 -42.09 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.808 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.41 -45.21 94.43 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 122.148 -0.345 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -66.1 -33.68 76.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.064 0.459 . . . . 0.0 109.907 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 579' ' ' ALA . . . . . 0.434 ' HB1' ' HB1' ' B' ' 568' ' ' ALA . . . -60.26 -56.15 24.97 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.772 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . 0.487 HD13 ' HG3' ' B' ' 557' ' ' MET . 41.9 mt -52.74 -40.21 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.342 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 581' ' ' GLU . . . . . 0.448 ' OE1' ' HD3' ' A' ' 72' ' ' ARG . 18.9 mt-10 -63.38 -49.49 73.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.379 0.609 . . . . 0.0 110.808 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 15.9 ttt85 -73.34 -36.98 66.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.307 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . 0.544 HD11 ' HB1' ' B' ' 564' ' ' ALA . 17.1 tp -65.08 -24.71 67.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.212 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 584' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.16 -22.03 65.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.927 0.394 . . . . 0.0 110.093 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -89.12 -61.81 1.39 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.919 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 37.5 m -149.04 -90.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.606 -0.349 . . . . 0.0 110.957 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 587' ' ' SER . . . . . 1.205 ' OG ' ' CB ' ' B' ' 587' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.238 0 CA-C-O 118.731 -0.652 . . . . 0.0 110.123 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptt? . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.854 0.359 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -110.09 158.39 18.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.997 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 pt -151.85 -175.43 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.92 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -132.11 137.19 47.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.31 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -128.61 130.02 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.097 0.475 . . . . 0.0 110.525 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -118.14 172.31 7.51 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.446 ' HB ' ' H ' ' A' ' 8' ' ' LEU . 13.5 p -120.11 -145.1 0.36 Allowed 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' H ' ' HB ' ' A' ' 7' ' ' THR . 14.1 tp -75.97 -14.89 60.24 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 p -110.14 -172.0 1.95 Allowed 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.826 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.23 26.54 6.87 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.86 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -69.77 152.85 44.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.701 0.286 . . . . 0.0 110.888 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.0 m -130.02 118.67 21.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.891 0.376 . . . . 0.0 111.231 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mt -117.94 124.4 73.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.309 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.52 139.7 31.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.341 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mt -148.68 141.68 24.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.976 0.417 . . . . 0.0 111.505 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -91.94 134.17 35.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 m -151.31 -172.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -147.1 158.82 44.13 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.09 -38.64 90.78 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 121.88 1.72 . . . . 0.0 111.768 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.56 2.99 23.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.126 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -78.16 131.81 37.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.498 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -75.99 152.78 36.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -179.569 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 54' ' ' ARG . 38.5 mm -60.39 -38.89 79.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.525 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -60.59 -39.66 88.91 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 22' ' ' THR . 28.0 m-20 -58.39 -45.32 88.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.758 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.48 -46.61 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.624 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -52.69 -42.71 65.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.154 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.33 96.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.98 0.419 . . . . 0.0 109.994 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.25 -45.58 90.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.607 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 94.6 mt -60.22 -40.38 83.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.238 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.416 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.0 tt0 -63.76 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.565 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -69.42 -50.84 42.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.832 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -67.41 -58.16 5.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.056 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -83.58 -67.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.766 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 125.18 44.47 0.27 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.814 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 39.1 mt -119.17 124.72 28.03 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 31.9 Cg_exo -59.33 131.73 42.55 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.618 2.212 . . . . 0.0 111.839 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 75.0 Cg_exo -51.72 -24.73 18.62 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 123.527 2.818 . . . . 0.0 114.197 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -72.38 -21.33 61.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.251 0.548 . . . . 0.0 111.037 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -104.21 0.19 29.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.683 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -91.36 128.64 37.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.074 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.55 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 64.7 mtt180 -127.9 121.52 30.2 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 177.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.426 HD12 HG23 ' A' ' 23' ' ' ILE . 37.6 mt -103.64 106.61 17.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.296 0.569 . . . . 0.0 110.896 -177.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.419 HD11 HD13 ' B' ' 584' ' ' LEU . 1.7 mp -102.79 124.79 57.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.012 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -125.71 110.79 14.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.203 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.66 25.19 14.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.056 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.19 2.97 63.75 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.878 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -115.94 132.56 56.61 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -82.67 126.32 32.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.774 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.83 117.82 21.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.739 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.538 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 37.7 mt-10 -71.51 141.82 50.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.674 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.85 -39.42 62.55 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.6 12.58 39.87 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.776 -0.726 . . . . 0.0 114.739 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.538 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.9 mmt180 -108.21 168.59 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.666 0.733 . . . . 0.0 110.453 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.8 p -110.54 171.47 7.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.31 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.1 mt -76.01 0.14 19.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 111.61 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 p -107.12 -12.91 15.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.458 0.646 . . . . 0.0 109.816 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -69.45 -41.58 76.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.197 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.431 ' O ' ' HB3' ' A' ' 60' ' ' ASN . 94.5 m-85 -90.46 19.84 4.98 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.444 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.431 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 29.3 t30 69.77 106.75 0.06 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.165 0.507 . . . . 0.0 110.964 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.6 tp -62.2 134.39 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.417 0.627 . . . . 0.0 111.36 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -130.24 136.01 48.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.561 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 141.7 57.27 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 57.4 54.76 6.3 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.21 124.58 23.85 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.336 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 m -110.11 94.29 4.94 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 121.562 0.696 . . . . 0.0 110.588 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -81.38 130.14 34.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.024 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -107.67 114.77 28.98 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.892 0.377 . . . . 0.0 110.897 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.55 ' HA ' ' O ' ' A' ' 42' ' ' ARG . 14.0 tp -88.6 93.96 9.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.936 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 t -78.99 139.64 18.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.004 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.7 mt -123.77 118.41 27.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.957 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.516 ' HA ' ' OE1' ' B' ' 581' ' ' GLU . 21.9 ttt180 -93.61 125.14 38.06 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.7 mt -82.09 155.26 25.16 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.331 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -101.67 -34.44 9.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.628 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.18 -176.86 15.2 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.677 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.836 -0.98 . . . . 0.0 111.915 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 4.6 m -125.36 83.68 60.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -90.27 171.8 3.67 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.827 2.352 . . . . 0.0 112.906 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -103.07 137.53 41.13 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -77.94 -2.89 39.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.731 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -75.23 -26.38 58.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.949 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -70.25 132.19 88.16 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.838 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 543' ' ' PRO . . . . . 0.466 ' O ' ' HG3' ' B' ' 546' ' ' ARG . 37.2 Cg_endo -65.72 -16.59 53.92 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.985 2.456 . . . . 0.0 112.599 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.49 -28.43 46.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.137 0.494 . . . . 0.0 109.964 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.09 -48.06 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.232 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 546' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' B' ' 543' ' ' PRO . 50.0 mtm180 58.48 33.09 22.82 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.824 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 71.74 -7.34 1.27 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.324 0.65 . . . . 0.0 112.168 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 67.97 -67.26 0.19 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -94.55 -34.2 12.75 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -175.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -66.1 -31.06 71.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.175 0.512 . . . . 0.0 110.548 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 12.1 tp -65.89 -20.42 66.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.637 178.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -79.34 -18.93 51.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.334 0.588 . . . . 0.0 109.938 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -90.02 -35.3 15.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.669 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . 0.759 HD13 ' HB3' ' B' ' 565' ' ' ASN . 4.1 mt -72.57 -40.77 66.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.507 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 15.7 m -70.91 -21.08 62.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.783 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -78.47 -14.05 59.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.257 0.551 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 17.8 mmt -106.46 5.61 29.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.562 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 77.35 99.3 0.18 Allowed Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.826 -0.624 . . . . 0.0 113.048 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 559' ' ' PHE . . . . . 0.497 ' HB3' HD21 ' B' ' 565' ' ' ASN . 5.7 m-85 -149.03 110.25 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 31.1 mt -71.92 -23.01 61.4 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -82.5 164.47 20.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -128.36 -50.86 1.29 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.683 0.278 . . . . 0.0 111.169 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -66.88 -48.6 68.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.719 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 564' ' ' ALA . . . . . 0.603 ' HB1' HD11 ' B' ' 583' ' ' LEU . . . -54.24 -35.17 62.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.107 0.48 . . . . 0.0 110.798 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . 0.759 ' HB3' HD13 ' B' ' 554' ' ' LEU . 2.5 m-20 -64.05 -40.55 96.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.454 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.442 ' O ' HG12 ' B' ' 570' ' ' ILE . 33.6 tp -67.01 -37.96 85.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.939 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -69.83 -45.12 68.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.185 0.517 . . . . 0.0 109.673 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 568' ' ' ALA . . . . . 0.489 ' HB1' ' HB1' ' B' ' 579' ' ' ALA . . . -57.25 -33.12 67.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.658 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.552 HD23 HD11 ' B' ' 554' ' ' LEU . 0.4 OUTLIER -75.91 -39.67 55.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.886 179.663 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.442 HG12 ' O ' ' B' ' 566' ' ' LEU . 37.3 mm -67.52 -48.25 77.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.856 0.36 . . . . 0.0 110.319 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -55.84 -40.57 73.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.919 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 19.1 p -78.4 -45.1 23.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.058 0.456 . . . . 0.0 110.435 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 102.66 6.04 47.35 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.134 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 140.62 -24.72 2.61 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.555 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -71.14 89.09 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 576' ' ' ILE . . . . . 0.43 ' O ' HG13 ' B' ' 580' ' ' ILE . 53.2 mt -60.27 -43.34 93.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.363 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.57 -46.29 84.14 Favored 'General case' 0 C--O 1.231 0.126 0 O-C-N 122.446 -0.159 . . . . 0.0 111.225 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . 0.495 ' HA ' ' OE2' ' B' ' 581' ' ' GLU . . . -62.64 -32.66 73.73 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.111 0.482 . . . . 0.0 110.307 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 579' ' ' ALA . . . . . 0.489 ' HB1' ' HB1' ' B' ' 568' ' ' ALA . . . -66.43 -52.12 49.71 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.768 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 576' ' ' ILE . 76.3 mt -52.32 -44.56 42.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.828 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 581' ' ' GLU . . . . . 0.516 ' OE1' ' HA ' ' A' ' 72' ' ' ARG . 38.4 mt-10 -57.08 -55.24 37.28 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.382 0.61 . . . . 0.0 110.579 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -68.97 -45.69 70.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.119 -0.946 . . . . 0.0 113.028 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . 0.603 HD11 ' HB1' ' B' ' 564' ' ' ALA . 23.7 tp -56.31 -38.49 71.34 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -176.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 584' ' ' LEU . . . . . 0.419 HD13 HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -69.68 -24.58 63.62 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.065 -179.594 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -93.16 -61.35 1.14 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.444 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 66.5 m -152.51 140.08 19.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.783 0.325 . . . . 0.0 110.372 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.486 -0.768 . . . . 0.0 110.695 -179.634 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.83 0.348 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -99.56 154.98 17.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.493 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.6 pt -149.46 169.79 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -130.53 138.51 50.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.568 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.443 ' HB ' ' HB ' ' A' ' 13' ' ' ILE . 95.6 t -121.29 117.42 52.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.973 0.416 . . . . 0.0 110.436 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.641 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 22.2 mmtp -107.21 119.48 39.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.547 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.5 p -86.25 -175.4 5.49 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.649 0.262 . . . . 0.0 111.094 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.47 HD11 HG13 ' A' ' 70' ' ' VAL . 71.5 mt -64.6 -29.91 70.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.08 0.467 . . . . 0.0 110.789 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -0.43 49.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.106 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.36 20.82 68.51 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.471 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.641 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 8.4 tttt -73.69 151.76 40.64 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.66 99.63 7.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.938 0.399 . . . . 0.0 111.215 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.443 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 12.6 mt -98.46 112.56 30.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.691 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -82.68 128.92 34.81 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.029 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.8 mt -137.57 167.71 21.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.076 0.465 . . . . 0.0 111.269 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -122.73 138.4 54.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.03 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -161.92 -173.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -178.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -143.26 154.26 60.64 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.66 -26.53 38.11 Favored 'Trans proline' 0 N--CA 1.476 0.463 0 C-N-CA 123.038 2.492 . . . . 0.0 113.82 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -85.29 -6.36 59.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.83 150.44 36.1 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.876 0.369 . . . . 0.0 110.85 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 4.2 p -89.75 158.95 17.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.247 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.573 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 47.1 mm -62.04 -38.62 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -59.7 -42.49 93.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.995 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -58.16 -35.19 71.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.071 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.475 ' O ' HG13 ' A' ' 30' ' ' ILE . 34.7 t -70.63 -45.39 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.467 178.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 7.9 mmmm -48.91 -46.73 43.32 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.13 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.5 99.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.079 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -58.35 -49.46 77.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.562 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 26' ' ' VAL . 15.1 mt -61.37 -36.09 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.353 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 58.9 tt0 -63.89 -37.99 89.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.131 0.491 . . . . 0.0 110.327 178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.95 -45.82 69.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.266 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -68.01 -64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.349 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -80.68 -55.67 4.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.855 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 113.07 40.68 1.04 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.106 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.0 mt -116.62 123.54 30.38 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.46 137.59 72.7 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.553 2.169 . . . . 0.0 111.915 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.88 -24.71 32.43 Favored 'Trans proline' 0 N--CA 1.474 0.332 0 C-N-CA 123.176 2.584 . . . . 0.0 113.282 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -18.22 61.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.725 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -105.8 1.77 27.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.048 0.451 . . . . 0.0 110.737 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.493 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 39.7 mt-30 -105.56 136.57 44.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.197 -178.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -132.84 135.71 45.8 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -110.71 123.52 50.19 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.61 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -116.36 128.73 73.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.011 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -126.5 104.08 7.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.181 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.31 33.3 16.6 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.311 0.577 . . . . 0.0 110.729 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.07 -16.16 59.29 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.451 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -88.68 117.84 27.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.651 0.262 . . . . 0.0 110.389 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -72.77 127.56 32.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.221 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.8 mt -87.57 116.71 25.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.09 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -78.11 145.41 35.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.352 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.21 -32.44 68.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.973 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.35 35.24 3.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.713 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -132.99 162.16 32.43 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 80.4 p -111.3 172.98 6.56 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.31 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.0 mt -73.92 -3.63 30.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.948 0.404 . . . . 0.0 110.526 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.9 m -97.05 -17.14 20.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.192 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.08 -58.02 5.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.988 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -85.53 3.88 38.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.434 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 t30 59.67 74.57 0.44 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.861 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.4 mp -95.15 124.64 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.039 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -86.55 176.63 7.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.871 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.38 142.11 39.46 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.198 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.54 40.99 13.01 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.796 0.808 . . . . 0.0 110.391 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.18 155.57 26.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.11 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 m -103.62 89.96 3.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.311 0.577 . . . . 0.0 110.55 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.11 133.8 35.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.841 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.581 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 9.5 m80 -102.97 114.14 28.18 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.769 0.318 . . . . 0.0 111.246 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.5 tp -90.77 125.25 35.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.038 0.446 . . . . 0.0 110.114 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.47 HG13 HD11 ' A' ' 8' ' ' LEU . 57.7 t -108.03 134.93 48.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.224 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.7 mt -115.81 130.83 57.0 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -100.11 113.29 25.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.831 0.348 . . . . 0.0 110.717 -179.382 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.6 mt -67.95 116.21 8.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.51 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -87.21 -18.25 30.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.603 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -124.59 143.79 14.88 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.701 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.572 -1.127 . . . . 0.0 111.371 -179.906 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 536' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.996 -0.441 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.88 92.06 45.52 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-O 120.865 0.364 . . . . 0.0 110.523 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -90.61 -161.83 0.11 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.958 2.439 . . . . 0.0 111.778 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -125.0 146.63 49.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.839 0.352 . . . . 0.0 110.103 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -83.99 -14.3 51.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.041 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -69.17 -27.28 65.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.727 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -74.99 121.78 86.03 Favored Pre-proline 0 C--O 1.236 0.393 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.965 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.35 -0.92 6.41 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.969 2.446 . . . . 0.0 113.452 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -82.82 -21.28 34.53 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 6.7 t -101.9 -50.48 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.931 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 546' ' ' ARG . . . . . 0.508 ' O ' ' HB2' ' B' ' 547' ' ' PHE . 5.2 mtm180 57.18 49.73 12.99 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.964 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 547' ' ' PHE . . . . . 0.508 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 14.5 m-85 74.93 -37.87 0.36 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.158 0.583 . . . . 0.0 111.872 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 73.58 -40.63 0.47 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.767 0.827 . . . . 0.0 112.455 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -96.26 -46.97 6.22 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.877 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 550' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -65.85 -32.21 73.6 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 14.4 tp -66.54 -19.11 65.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.864 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -80.89 -15.01 57.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.184 0.516 . . . . 0.0 110.006 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.42 -35.6 9.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.382 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . . . . . . . . . 52.7 mt -67.82 -43.4 79.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.076 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 5.1 m -76.96 -16.88 59.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.549 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -78.74 -24.27 44.93 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.412 0.625 . . . . 0.0 109.97 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 10.3 mmt -85.42 12.08 9.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.89 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . 77.59 78.08 0.79 Allowed Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.805 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 559' ' ' PHE . . . . . 0.413 ' CE1' HD23 ' B' ' 583' ' ' LEU . 29.2 m-85 -147.43 138.72 23.78 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 36.9 mt -106.73 -15.66 14.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 561' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.21 152.05 42.49 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.441 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -114.95 -59.1 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.095 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -65.0 -49.23 71.07 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.591 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.18 81.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.348 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -63.87 -37.5 87.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.081 0.467 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' B' ' 546' ' ' ARG . 53.7 tp -63.42 -39.8 95.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.426 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -76.86 -37.69 55.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.926 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.95 75.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.994 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' B' ' 569' ' ' LEU . 0.7 OUTLIER -69.76 -32.97 71.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.146 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 35.6 mm -73.44 -45.28 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.456 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -55.69 -42.11 74.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.149 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 68.9 p -81.69 -30.17 32.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.802 0.334 . . . . 0.0 111.219 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 97.78 10.93 51.88 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.319 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 128.29 -16.15 6.03 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.72 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -72.61 100.52 2.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.92 0.39 . . . . 0.0 110.496 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.97 -48.67 88.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.093 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.74 -48.4 75.29 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -63.26 -34.24 77.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -62.15 -51.07 69.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.769 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 84.3 mt -54.24 -45.6 67.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.442 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 581' ' ' GLU . . . . . 0.403 ' OE1' ' HD3' ' A' ' 72' ' ' ARG . 22.1 mt-10 -66.85 -34.63 78.22 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 121.137 0.494 . . . . 0.0 110.624 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 582' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -72.89 -40.07 65.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.241 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . 0.413 HD23 ' CE1' ' B' ' 559' ' ' PHE . 15.6 tp -56.77 -53.39 58.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.596 -178.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 584' ' ' LEU . . . . . 0.4 HD21 HG11 ' A' ' 70' ' ' VAL . 1.3 pp -93.0 21.06 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.223 0.535 . . . . 0.0 110.806 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -109.22 -65.96 0.57 Allowed Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.813 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 28.9 m -158.55 140.26 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.584 179.833 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -104.56 155.89 18.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.725 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 pt -147.25 174.88 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -121.82 135.41 54.91 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.3 t -123.44 112.72 34.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 4.1 tttp -112.2 127.85 56.07 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.461 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 p -83.93 174.1 10.64 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.051 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.554 HD11 HG13 ' A' ' 70' ' ' VAL . 26.1 mt -66.53 -21.82 66.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.182 0.515 . . . . 0.0 110.196 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.35 -19.88 57.76 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.791 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.18 11.23 39.95 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.935 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 86.6 tttt -76.22 147.32 38.46 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.9 m -117.25 109.02 16.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.162 0.506 . . . . 0.0 110.89 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 mt -105.01 122.89 58.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.618 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.448 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -87.22 123.91 32.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.965 178.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mt -133.25 153.77 51.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.94 0.4 . . . . 0.0 111.441 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -108.93 137.1 47.39 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 m -148.08 -170.54 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' HD12 ' A' ' 56' ' ' LEU . 5.3 mm-40 -147.18 158.53 44.33 Favored Pre-proline 0 C--N 1.32 -0.713 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.28 -37.65 81.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.213 1.942 . . . . 0.0 112.558 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.84 6.46 24.58 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.5 t0 -75.46 139.87 42.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.925 0.393 . . . . 0.0 110.233 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -82.83 147.53 28.29 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.763 -179.758 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.6 mm -56.98 -46.18 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.078 0.466 . . . . 0.0 110.51 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -64.31 -33.13 75.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.456 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -63.84 -38.5 91.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.025 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 22' ' ' THR . 47.2 t -64.55 -44.22 96.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -54.8 -38.22 67.06 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.282 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.73 98.41 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.306 0.574 . . . . 0.0 109.67 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -61.11 -44.84 96.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.218 178.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.4 mt -61.24 -40.57 86.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.228 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -61.41 -33.17 73.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.307 0.575 . . . . 0.0 110.222 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.95 -45.83 55.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.403 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' HE3' ' O ' ' A' ' 14' ' ' THR . 54.6 mttm -68.71 -56.47 8.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.295 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -88.49 -61.63 1.67 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.74 -12.06 5.14 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.454 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 11.7 mt -70.01 125.42 91.98 Favored Pre-proline 0 C--N 1.323 -0.58 0 O-C-N 122.939 -0.153 . . . . 0.0 110.723 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 27.5 Cg_exo -62.71 143.21 91.84 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.686 2.257 . . . . 0.0 112.076 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 54.5 Cg_exo -54.02 -24.31 31.94 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.248 2.632 . . . . 0.0 113.856 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.52 -21.55 59.49 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.171 0.51 . . . . 0.0 110.955 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -100.0 1.79 42.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.783 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -101.48 143.43 31.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.29 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -134.23 131.27 38.31 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 176.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 43' ' ' LEU . 21.5 mt -108.43 118.7 37.47 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.249 0.547 . . . . 0.0 112.103 -178.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.54 126.93 68.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.862 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.454 ' HB3' HD21 ' A' ' 50' ' ' LEU . 77.8 t80 -135.98 128.89 31.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.882 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.18 20.47 11.73 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.538 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' B' ' 558' ' ' GLY . . . 93.89 -0.82 67.46 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.751 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -120.9 152.18 38.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.114 0.457 . . . . 0.0 111.359 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -82.32 141.84 32.54 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.396 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.454 HD21 ' HB3' ' A' ' 45' ' ' PHE . 35.9 mt -98.25 146.8 25.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -90.57 141.24 28.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.151 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.4 -41.32 98.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.028 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.79 47.78 3.87 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.703 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.1 mmt-85 -141.57 163.45 32.9 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.5 p -108.82 163.95 12.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.726 0.298 . . . . 0.0 110.564 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.502 HD22 HG13 ' A' ' 61' ' ' ILE . 85.4 mt -68.81 -14.83 63.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.214 0.53 . . . . 0.0 109.966 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -24.27 39.1 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.868 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -68.96 -47.13 66.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.813 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -88.72 3.21 51.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 57.95 62.01 2.2 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.072 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.502 HG13 HD22 ' A' ' 56' ' ' LEU . 48.4 mm -79.57 122.93 35.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -96.81 174.16 6.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.985 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -63.32 132.42 51.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.026 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 63.29 41.61 7.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.134 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.8 m -78.24 146.91 34.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -93.94 101.32 13.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.793 0.33 . . . . 0.0 111.572 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -96.76 131.72 43.18 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.544 ' HA ' ' O ' ' A' ' 6' ' ' LYS . 33.9 m80 -102.95 117.48 34.7 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.215 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.2 tp -89.16 118.04 28.58 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.093 0.473 . . . . 0.0 109.938 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.554 HG13 HD11 ' A' ' 8' ' ' LEU . 81.8 t -102.06 136.22 35.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.273 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.2 mt -123.16 114.87 20.88 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.545 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -92.03 129.68 37.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.191 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.2 mt -97.37 134.25 40.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.46 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -86.67 -23.03 25.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.387 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.28 178.41 25.44 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.818 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.793 -1.004 . . . . 0.0 111.544 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 536' ' ' GLY . . . . . 0.413 ' O ' ' HD3' ' B' ' 538' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.914 -0.474 . . . . 0.0 111.914 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 537' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.73 91.78 13.11 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' B' ' 536' ' ' GLY . 53.1 Cg_endo -92.47 161.43 2.97 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 122.921 2.414 . . . . 0.0 112.923 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 539' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -84.62 118.47 24.39 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 540' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -62.48 -23.53 66.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.324 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 541' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -64.64 -23.84 67.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.879 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 542' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.65 126.24 90.41 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.3 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 543' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.96 -16.04 51.6 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.828 2.352 . . . . 0.0 112.413 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 544' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.99 -30.35 44.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.152 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 63.8 t -79.55 -49.25 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.335 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 546' ' ' ARG . . . . . 0.548 ' O ' ' HB2' ' B' ' 551' ' ' LEU . 43.5 mtm180 60.48 36.51 20.1 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.469 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 547' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 75.24 -21.62 0.29 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.527 0.731 . . . . 0.0 110.972 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 548' ' ' GLN . . . . . 0.44 ' H ' ' C ' ' B' ' 546' ' ' ARG . 7.9 tt0 71.25 -56.18 0.64 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.913 0.885 . . . . 0.0 113.119 178.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 549' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -86.22 -56.52 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 550' ' ' GLN . . . . . 0.465 ' HA ' ' OE1' ' B' ' 550' ' ' GLN . 11.1 mm-40 -60.7 -22.83 64.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.786 0.327 . . . . 0.0 111.819 -178.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . 0.548 ' HB2' ' O ' ' B' ' 546' ' ' ARG . 34.2 tp -63.61 -24.63 67.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.592 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -80.32 -12.03 59.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.015 0.436 . . . . 0.0 110.374 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -98.59 -41.25 7.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.933 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 554' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' B' ' 565' ' ' ASN . 9.6 mt -66.27 -43.12 87.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.821 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 555' ' ' SER . . . . . . . . . . . . . 1.7 m -78.12 -17.89 56.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.641 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -74.69 -17.37 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 111.489 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 557' ' ' MET . . . . . . . . . . . . . 10.1 mmt -92.22 11.04 27.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . 0.426 ' O ' ' HA2' ' A' ' 47' ' ' GLY . . . 74.4 84.84 0.3 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.557 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 559' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -144.04 156.34 44.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.603 0.239 . . . . 0.0 110.543 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 560' ' ' LEU . . . . . . . . . . . . . 14.1 mt -110.5 -19.3 12.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.247 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 561' ' ' ASN . . . . . 0.423 ' HB3' ' OD1' ' B' ' 565' ' ' ASN . 6.7 t-20 -74.5 146.42 42.74 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.695 -178.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -121.5 -58.72 1.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.652 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 563' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -62.38 -53.7 51.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.474 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 564' ' ' ALA . . . . . . . . . . . . . . . -56.19 -35.13 66.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.079 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 565' ' ' ASN . . . . . 0.474 ' HB3' HD13 ' B' ' 554' ' ' LEU . 5.4 m-20 -64.36 -43.79 93.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.019 0.438 . . . . 0.0 110.296 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 30.9 tp -64.7 -37.06 86.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.209 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 567' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -71.41 -42.67 68.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.842 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 568' ' ' ALA . . . . . . . . . . . . . . . -56.26 -35.42 67.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.145 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.412 HD23 HD11 ' B' ' 554' ' ' LEU . 0.2 OUTLIER -72.47 -35.37 68.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.435 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 29.5 mm -73.57 -42.45 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 571' ' ' ALA . . . . . . . . . . . . . . . -60.74 -30.63 70.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.523 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 6.5 p -89.62 -40.62 12.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.096 0.474 . . . . 0.0 110.831 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 573' ' ' GLY . . . . . . . . . . . . . . . 99.48 7.77 53.54 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.389 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 136.17 -16.42 3.91 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.405 -0.902 . . . . 0.0 113.089 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 575' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -76.67 92.69 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.803 0.335 . . . . 0.0 110.623 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 576' ' ' ILE . . . . . . . . . . . . . 25.1 mt -58.31 -49.52 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.833 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 577' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -58.47 -46.3 86.89 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -66.79 -31.66 72.44 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.719 0.295 . . . . 0.0 110.72 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 579' ' ' ALA . . . . . . . . . . . . . . . -64.29 -55.24 22.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.748 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 580' ' ' ILE . . . . . . . . . . . . . 77.8 mt -53.71 -42.21 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.185 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 581' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.52 -53.69 54.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.28 0.562 . . . . 0.0 110.064 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 582' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 582' ' ' ARG . 20.6 ttt180 -68.64 -35.18 76.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.091 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 583' ' ' LEU . . . . . . . . . . . . . 30.4 tp -51.04 -41.54 59.91 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 584' ' ' LEU . . . . . 0.54 HD11 HG11 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -98.8 19.82 14.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.044 0.449 . . . . 0.0 111.07 -179.839 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -122.1 -59.0 0.21 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.408 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 586' ' ' SER . . . . . . . . . . . . . 13.9 m -153.63 159.62 42.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.865 0.364 . . . . 0.0 110.894 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 587' ' ' SER . . . . . . . . . . . . . 10.2 m . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.687 179.102 . . . . . . . . 0 0 . 1 stop_ save_