data_5ki0_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 5ki0 _Structure_validation_residue.Date_analyzed 2016-11-18 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' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.56 0.25 57.52 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.389 0.614 . . . . 0.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 5' ' ' GLY . 3.0 tp -101.46 7.89 9.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.432 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.5 77.07 0.01 OUTLIER Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 3' ' ' ILE . . . -91.01 -88.23 1.39 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.77 112.53 3.56 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 3.6 mm? -68.09 -27.09 66.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 110.395 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.3 m -71.94 -8.91 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.691 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -87.17 -12.88 45.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.105 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 p -60.49 134.0 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.622 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.56 173.7 17.99 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.52 -10.08 65.62 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' CG2' ' A' ' 16' ' ' THR . . . 84.96 141.13 5.32 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 16' ' ' THR . 69.3 p -95.14 -59.22 1.94 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.017 0.437 . . . . 0.0 111.801 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.4 t -63.41 3.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.524 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.481 ' H ' ' C ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -60.97 -28.01 68.69 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.338 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.6 tt -80.86 -12.28 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.711 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' HZ2' ' HB2' ' A' ' 18' ' ' LYS . 0.7 OUTLIER 48.07 91.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.982 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.612 -179.754 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -73.84 0.14 14.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.428 0.632 . . . . 0.0 110.582 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -76.48 7.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.958 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -41.22 121.9 2.26 Favored Glycine 0 CA--C 1.525 0.669 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.961 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.33 -78.07 0.02 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' A' ' 8' ' ' SER . . . 69.11 95.42 0.05 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.431 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 4.2 mm? -54.83 -7.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 110.401 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.505 ' H ' ' C ' ' A' ' 6' ' ' GLY . 25.4 t -79.96 -14.94 58.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.47 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.2 m -92.89 -12.84 29.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.049 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -42.89 157.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.711 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.71 95.68 0.14 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.17 -72.6 0.04 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.402 ' CA ' ' OG1' ' A' ' 16' ' ' THR . . . -175.7 59.37 0.11 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 t -79.41 -39.31 32.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 110.762 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.8 m -96.63 3.26 52.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.338 0.589 . . . . 0.0 110.625 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.402 ' OG1' ' CA ' ' A' ' 13' ' ' GLY . 23.2 p -85.46 -35.52 21.18 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.595 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 tp -56.7 -37.51 53.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.5 tptt 45.56 78.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.687 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.383 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.51 0.21 15.44 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.391 0.615 . . . . 0.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -85.0 7.8 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.52 140.4 14.54 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.64 -73.69 0.03 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.49 75.55 0.97 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.03 -22.0 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.699 0.285 . . . . 0.0 110.42 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.2 m -77.11 -32.32 56.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.1 m -76.52 -12.79 60.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.143 0.497 . . . . 0.0 109.717 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.73 165.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.459 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.43 -157.3 8.31 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.47 -12.81 44.28 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.69 106.97 2.52 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.5 t -92.98 -60.98 1.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.848 0.356 . . . . 0.0 110.625 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.5 m -75.2 3.19 9.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.344 0.593 . . . . 0.0 110.619 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 p -70.57 -8.62 52.92 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.504 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.3 tp -80.24 -18.55 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.535 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? 46.55 90.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.586 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.413 ' HG2' ' H ' ' A' ' 2' ' ' ALA . 12.8 ttp180 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.44 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -79.55 0.37 30.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.429 0.633 . . . . 0.0 110.685 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.492 ' O ' ' C ' ' A' ' 4' ' ' GLY . 15.6 tt -75.89 7.22 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 3' ' ' ILE . . . 25.7 85.27 0.01 OUTLIER Glycine 0 CA--C 1.527 0.837 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.703 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.42 -111.15 2.51 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 44.53 88.33 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 3.3 mm? -76.78 -16.54 59.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.329 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.4 t -61.44 -15.05 33.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 t -89.51 -12.86 38.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.02 0.438 . . . . 0.0 110.164 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 p -47.86 153.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.651 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.49 100.56 0.5 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.89 -79.75 0.1 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.02 117.62 0.41 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.4 m -89.26 -66.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.768 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.4 p -91.31 3.09 55.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.328 0.585 . . . . 0.0 110.653 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.5 p -55.58 -19.94 11.79 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.7 tp -89.92 -25.75 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.78 59.74 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.417 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.479 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.85 0.3 13.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.46 0.648 . . . . 0.0 110.52 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.439 HG22 HD13 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -93.1 7.38 5.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.031 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.17 107.02 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.34 -58.57 0.21 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 57.79 96.3 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.53 -16.72 62.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.33 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 p -67.93 -11.15 58.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.595 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -91.13 -13.02 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.284 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -44.94 127.41 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.577 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.88 27.23 9.34 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.05 -90.69 1.63 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.89 91.51 0.08 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.414 ' OG ' ' N ' ' A' ' 15' ' ' SER . 82.6 p -83.24 -61.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 110.742 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.414 ' N ' ' OG ' ' A' ' 14' ' ' SER . 95.0 p -75.55 3.16 9.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.342 0.591 . . . . 0.0 110.662 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -66.09 -42.64 89.06 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.588 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.6 tt -81.2 -22.67 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? 44.38 34.01 0.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.598 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.538 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.442 ' C ' ' H ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.512 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -69.66 0.21 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.401 0.619 . . . . 0.0 110.415 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.442 ' H ' ' C ' ' A' ' 1' ' ' ARG . 11.8 tt -71.78 8.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -41.06 109.9 0.17 Allowed Glycine 0 CA--C 1.525 0.689 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.064 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.95 -90.73 0.08 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.99 97.2 0.33 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.431 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 4.4 mm? -60.73 -14.64 22.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.758 0.313 . . . . 0.0 110.369 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 t -80.77 -11.04 59.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.666 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 m -91.95 -12.87 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.15 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.7 p -48.51 131.38 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.75 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.64 103.24 1.33 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.72 -19.77 0.22 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.563 ' O ' ' CG2' ' A' ' 16' ' ' THR . . . 80.69 118.95 0.4 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.1 p -94.53 -5.36 46.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.672 0.272 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.0 t -94.01 3.35 55.46 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.871 0.367 . . . . 0.0 111.892 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.563 ' CG2' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -67.64 -33.26 74.61 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.306 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 tp -66.29 -22.04 29.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 tptt 58.2 38.73 26.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.586 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.728 179.922 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.527 ' C ' ' H ' ' A' ' 3' ' ' ILE . 50.5 ttt180 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.05 0.19 1.36 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.42 0.629 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.527 ' H ' ' C ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER -84.73 7.42 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.955 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.52 136.97 47.15 Favored Glycine 0 CA--C 1.524 0.624 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.937 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.2 -81.56 0.04 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.88 104.05 0.26 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 9' ' ' SER . 14.6 mt -67.58 -31.08 70.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.31 . . . . 0.0 110.554 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 t -56.75 -10.45 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.429 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 7' ' ' LEU . 11.4 m -93.07 -12.88 29.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.315 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -41.85 131.17 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.645 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -110.53 51.93 0.67 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.65 -100.79 0.31 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.91 103.23 0.2 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.4 m -89.17 -66.05 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.951 0.405 . . . . 0.0 110.633 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.4 p -84.31 3.14 36.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.405 0.621 . . . . 0.0 110.552 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.6 p -64.67 -14.67 59.3 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.529 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 tp -78.25 -21.93 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.433 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? 58.97 85.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.609 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.55 0.21 18.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.394 0.616 . . . . 0.0 110.475 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.6 mm -81.37 7.78 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.306 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.0 99.38 0.61 Allowed Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.858 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.92 -76.83 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.79 110.13 1.51 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 3.5 mm? -63.68 -10.28 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.704 0.288 . . . . 0.0 110.527 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.8 m -89.17 -12.67 40.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 p -80.2 -24.56 40.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 0.0 109.907 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 2.3 p -50.44 126.06 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.769 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.34 -16.56 39.92 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.0 -71.53 0.47 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.54 124.98 0.77 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.0 p -92.82 -66.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.895 0.379 . . . . 0.0 110.726 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.0 t -79.75 3.11 20.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.267 0.556 . . . . 0.0 110.621 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.6 p -73.34 -25.7 60.72 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.575 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 tp -84.91 -30.76 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? 51.74 89.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.428 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.677 -179.878 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.543 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -96.0 0.43 51.7 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.387 0.613 . . . . 0.0 110.631 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.49 7.9 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.453 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . 39.22 -144.09 0.33 Allowed Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.15 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' GLY . . . 124.7 -75.03 0.4 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' GLY . . . 35.98 63.93 0.59 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.533 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 3.6 mm? -64.61 -33.08 75.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.424 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 t -89.51 -8.95 51.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.646 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.1 t -85.83 -38.47 18.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.15 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.466 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 p -54.68 126.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.347 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.65 38.87 1.06 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 10' ' ' VAL . . . -84.05 -20.06 59.94 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 53.57 80.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.5 p -83.01 -6.64 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.599 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -91.56 3.21 55.56 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.42 0.629 . . . . 0.0 110.534 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.4 p -81.49 -51.82 7.89 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.2 tp -48.21 -22.49 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.255 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? 54.15 36.28 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.642 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.689 179.913 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.497 ' C ' ' H ' ' A' ' 3' ' ' ILE . 49.7 mtp180 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.511 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -65.91 0.25 1.93 Allowed 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.447 0.641 . . . . 0.0 110.511 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.497 ' H ' ' C ' ' A' ' 1' ' ' ARG . 14.1 tt -71.15 7.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -41.29 129.26 3.68 Favored Glycine 0 CA--C 1.525 0.687 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.02 -69.67 0.01 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.62 93.93 0.01 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.4 mt -76.09 -6.86 53.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.739 0.304 . . . . 0.0 110.569 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -75.36 -13.67 60.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.357 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 m -92.54 -12.84 30.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.116 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.7 p -44.15 159.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.63 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.2 97.25 0.17 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.87 -48.38 0.03 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 162.51 93.92 0.1 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -84.77 -66.13 0.93 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.887 0.375 . . . . 0.0 110.759 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.0 m -81.85 3.17 27.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.336 0.589 . . . . 0.0 110.687 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 p -61.54 -58.16 9.24 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.412 HG22 ' H ' ' A' ' 19' ' ' TYR . 3.1 tp -75.29 -19.32 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.304 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? 52.08 35.31 16.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.624 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.412 ' H ' HG22 ' A' ' 17' ' ' ILE . 83.5 m-85 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.56 0.25 57.52 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.389 0.614 . . . . 0.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 5' ' ' GLY . 3.0 tp -101.46 7.89 9.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.432 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.5 77.07 0.01 OUTLIER Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 3' ' ' ILE . . . -91.01 -88.23 1.39 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.77 112.53 3.56 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 3.6 mm? -68.09 -27.09 66.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 110.395 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.3 m -71.94 -8.91 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.691 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -87.17 -12.88 45.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.105 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 p -60.49 134.0 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.622 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.56 173.7 17.99 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.52 -10.08 65.62 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' CG2' ' A' ' 16' ' ' THR . . . 84.96 141.13 5.32 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 16' ' ' THR . 69.3 p -95.14 -59.22 1.94 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.017 0.437 . . . . 0.0 111.801 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.4 t -63.41 3.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.524 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.481 ' H ' ' C ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -60.97 -28.01 68.69 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.338 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.6 tt -80.86 -12.28 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.711 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' HZ2' ' HB2' ' A' ' 18' ' ' LYS . 0.7 OUTLIER 48.07 91.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.982 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.612 -179.754 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -73.84 0.14 14.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.428 0.632 . . . . 0.0 110.582 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -76.48 7.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.958 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -41.22 121.9 2.26 Favored Glycine 0 CA--C 1.525 0.669 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.961 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.33 -78.07 0.02 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' A' ' 8' ' ' SER . . . 69.11 95.42 0.05 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.431 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 4.2 mm? -54.83 -7.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 110.401 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.505 ' H ' ' C ' ' A' ' 6' ' ' GLY . 25.4 t -79.96 -14.94 58.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.47 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.2 m -92.89 -12.84 29.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.049 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -42.89 157.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.711 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.71 95.68 0.14 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.17 -72.6 0.04 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.402 ' CA ' ' OG1' ' A' ' 16' ' ' THR . . . -175.7 59.37 0.11 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 t -79.41 -39.31 32.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 110.762 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.8 m -96.63 3.26 52.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.338 0.589 . . . . 0.0 110.625 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.402 ' OG1' ' CA ' ' A' ' 13' ' ' GLY . 23.2 p -85.46 -35.52 21.18 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.595 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 tp -56.7 -37.51 53.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.5 tptt 45.56 78.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.687 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.383 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.51 0.21 15.44 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.391 0.615 . . . . 0.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -85.0 7.8 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.52 140.4 14.54 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.64 -73.69 0.03 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.49 75.55 0.97 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.03 -22.0 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.699 0.285 . . . . 0.0 110.42 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.2 m -77.11 -32.32 56.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.1 m -76.52 -12.79 60.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.143 0.497 . . . . 0.0 109.717 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.73 165.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.459 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.43 -157.3 8.31 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.47 -12.81 44.28 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.69 106.97 2.52 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.5 t -92.98 -60.98 1.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.848 0.356 . . . . 0.0 110.625 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.5 m -75.2 3.19 9.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.344 0.593 . . . . 0.0 110.619 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 p -70.57 -8.62 52.92 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.504 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.3 tp -80.24 -18.55 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.535 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? 46.55 90.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.586 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.413 ' HG2' ' H ' ' A' ' 2' ' ' ALA . 12.8 ttp180 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.44 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -79.55 0.37 30.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.429 0.633 . . . . 0.0 110.685 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.492 ' O ' ' C ' ' A' ' 4' ' ' GLY . 15.6 tt -75.89 7.22 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 3' ' ' ILE . . . 25.7 85.27 0.01 OUTLIER Glycine 0 CA--C 1.527 0.837 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.703 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.42 -111.15 2.51 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 44.53 88.33 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 3.3 mm? -76.78 -16.54 59.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.329 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.4 t -61.44 -15.05 33.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 t -89.51 -12.86 38.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.02 0.438 . . . . 0.0 110.164 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 p -47.86 153.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.651 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.49 100.56 0.5 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.89 -79.75 0.1 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.02 117.62 0.41 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.4 m -89.26 -66.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.768 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.4 p -91.31 3.09 55.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.328 0.585 . . . . 0.0 110.653 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.5 p -55.58 -19.94 11.79 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.7 tp -89.92 -25.75 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.78 59.74 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.417 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.479 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.85 0.3 13.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.46 0.648 . . . . 0.0 110.52 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.439 HG22 HD13 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -93.1 7.38 5.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.031 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.17 107.02 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.34 -58.57 0.21 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 57.79 96.3 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.53 -16.72 62.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.33 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 p -67.93 -11.15 58.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.595 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -91.13 -13.02 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.284 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -44.94 127.41 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.577 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.88 27.23 9.34 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.05 -90.69 1.63 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.89 91.51 0.08 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.414 ' OG ' ' N ' ' A' ' 15' ' ' SER . 82.6 p -83.24 -61.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 110.742 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.414 ' N ' ' OG ' ' A' ' 14' ' ' SER . 95.0 p -75.55 3.16 9.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.342 0.591 . . . . 0.0 110.662 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -66.09 -42.64 89.06 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.588 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.6 tt -81.2 -22.67 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? 44.38 34.01 0.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.598 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.538 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.442 ' C ' ' H ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.512 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -69.66 0.21 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.401 0.619 . . . . 0.0 110.415 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.442 ' H ' ' C ' ' A' ' 1' ' ' ARG . 11.8 tt -71.78 8.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -41.06 109.9 0.17 Allowed Glycine 0 CA--C 1.525 0.689 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.064 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.95 -90.73 0.08 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.99 97.2 0.33 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.431 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 4.4 mm? -60.73 -14.64 22.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.758 0.313 . . . . 0.0 110.369 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 t -80.77 -11.04 59.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.666 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 m -91.95 -12.87 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.15 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.7 p -48.51 131.38 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.75 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.64 103.24 1.33 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.72 -19.77 0.22 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.563 ' O ' ' CG2' ' A' ' 16' ' ' THR . . . 80.69 118.95 0.4 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.1 p -94.53 -5.36 46.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.672 0.272 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.0 t -94.01 3.35 55.46 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.871 0.367 . . . . 0.0 111.892 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.563 ' CG2' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -67.64 -33.26 74.61 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.306 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 tp -66.29 -22.04 29.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 tptt 58.2 38.73 26.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.586 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.728 179.922 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.527 ' C ' ' H ' ' A' ' 3' ' ' ILE . 50.5 ttt180 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.05 0.19 1.36 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.42 0.629 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.527 ' H ' ' C ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER -84.73 7.42 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.955 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.52 136.97 47.15 Favored Glycine 0 CA--C 1.524 0.624 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.937 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.2 -81.56 0.04 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.88 104.05 0.26 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 9' ' ' SER . 14.6 mt -67.58 -31.08 70.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.31 . . . . 0.0 110.554 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 t -56.75 -10.45 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.429 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 7' ' ' LEU . 11.4 m -93.07 -12.88 29.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.315 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -41.85 131.17 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.645 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -110.53 51.93 0.67 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.65 -100.79 0.31 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.91 103.23 0.2 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.4 m -89.17 -66.05 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.951 0.405 . . . . 0.0 110.633 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.4 p -84.31 3.14 36.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.405 0.621 . . . . 0.0 110.552 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.6 p -64.67 -14.67 59.3 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.529 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 tp -78.25 -21.93 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.433 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? 58.97 85.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.609 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.55 0.21 18.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.394 0.616 . . . . 0.0 110.475 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.6 mm -81.37 7.78 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.306 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.0 99.38 0.61 Allowed Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.858 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.92 -76.83 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.79 110.13 1.51 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 3.5 mm? -63.68 -10.28 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.704 0.288 . . . . 0.0 110.527 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.8 m -89.17 -12.67 40.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 p -80.2 -24.56 40.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 0.0 109.907 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 2.3 p -50.44 126.06 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.769 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.34 -16.56 39.92 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.0 -71.53 0.47 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.54 124.98 0.77 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.0 p -92.82 -66.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.895 0.379 . . . . 0.0 110.726 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.0 t -79.75 3.11 20.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.267 0.556 . . . . 0.0 110.621 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.6 p -73.34 -25.7 60.72 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.575 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 tp -84.91 -30.76 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? 51.74 89.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.428 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.677 -179.878 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.543 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -96.0 0.43 51.7 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.387 0.613 . . . . 0.0 110.631 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.49 7.9 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.453 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . 39.22 -144.09 0.33 Allowed Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.15 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' GLY . . . 124.7 -75.03 0.4 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' GLY . . . 35.98 63.93 0.59 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.533 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 3.6 mm? -64.61 -33.08 75.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.424 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 t -89.51 -8.95 51.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.646 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.1 t -85.83 -38.47 18.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.15 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.466 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 p -54.68 126.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.347 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.65 38.87 1.06 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 10' ' ' VAL . . . -84.05 -20.06 59.94 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 53.57 80.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.5 p -83.01 -6.64 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.599 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -91.56 3.21 55.56 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.42 0.629 . . . . 0.0 110.534 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.4 p -81.49 -51.82 7.89 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.2 tp -48.21 -22.49 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.255 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? 54.15 36.28 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.642 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.689 179.913 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.497 ' C ' ' H ' ' A' ' 3' ' ' ILE . 49.7 mtp180 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.511 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -65.91 0.25 1.93 Allowed 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.447 0.641 . . . . 0.0 110.511 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.497 ' H ' ' C ' ' A' ' 1' ' ' ARG . 14.1 tt -71.15 7.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -41.29 129.26 3.68 Favored Glycine 0 CA--C 1.525 0.687 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.02 -69.67 0.01 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.62 93.93 0.01 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.4 mt -76.09 -6.86 53.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.739 0.304 . . . . 0.0 110.569 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -75.36 -13.67 60.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.357 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 m -92.54 -12.84 30.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.116 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.7 p -44.15 159.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.63 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.2 97.25 0.17 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.87 -48.38 0.03 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 162.51 93.92 0.1 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -84.77 -66.13 0.93 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.887 0.375 . . . . 0.0 110.759 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.0 m -81.85 3.17 27.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.336 0.589 . . . . 0.0 110.687 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 p -61.54 -58.16 9.24 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.412 HG22 ' H ' ' A' ' 19' ' ' TYR . 3.1 tp -75.29 -19.32 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.304 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? 52.08 35.31 16.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.624 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.412 ' H ' HG22 ' A' ' 17' ' ' ILE . 83.5 m-85 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.56 0.25 57.52 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.389 0.614 . . . . 0.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 5' ' ' GLY . 3.0 tp -101.46 7.89 9.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.432 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.5 77.07 0.01 OUTLIER Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 3' ' ' ILE . . . -91.01 -88.23 1.39 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.77 112.53 3.56 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.6 mm? -68.09 -27.09 66.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 110.395 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.3 m -71.94 -8.91 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.691 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -87.17 -12.88 45.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.105 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 7' ' ' LEU . 5.9 p -60.49 134.0 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.622 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.56 173.7 17.99 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.52 -10.08 65.62 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' CG2' ' A' ' 16' ' ' THR . . . 84.96 141.13 5.32 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 16' ' ' THR . 69.3 p -95.14 -59.22 1.94 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.017 0.437 . . . . 0.0 111.801 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.4 t -63.41 3.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.524 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.478 ' CG2' ' C ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -60.97 -28.01 68.69 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.338 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.6 tt -80.86 -12.28 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.711 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HZ3' ' HB2' ' A' ' 18' ' ' LYS . 0.7 OUTLIER 48.07 91.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.982 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.612 -179.754 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.84 0.14 14.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.428 0.632 . . . . 0.0 110.582 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.471 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER -76.48 7.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.958 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.22 121.9 2.26 Favored Glycine 0 CA--C 1.525 0.669 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.961 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.33 -78.07 0.02 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 8' ' ' SER . . . 69.11 95.42 0.05 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.452 ' O ' HG12 ' A' ' 10' ' ' VAL . 4.2 mm? -54.83 -7.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 110.401 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 6' ' ' GLY . 25.4 t -79.96 -14.94 58.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.47 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.2 m -92.89 -12.84 29.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.049 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 11' ' ' GLY . 12.2 p -42.89 157.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.711 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.46 ' N ' HG22 ' A' ' 10' ' ' VAL . . . -158.71 95.68 0.14 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.17 -72.6 0.04 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.402 ' CA ' ' OG1' ' A' ' 16' ' ' THR . . . -175.7 59.37 0.11 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 t -79.41 -39.31 32.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 110.762 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.8 m -96.63 3.26 52.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.338 0.589 . . . . 0.0 110.625 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.402 ' OG1' ' CA ' ' A' ' 13' ' ' GLY . 23.2 p -85.46 -35.52 21.18 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.595 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 18' ' ' LYS . 9.7 tp -56.7 -37.51 53.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' N ' HG23 ' A' ' 17' ' ' ILE . 35.5 tptt 45.56 78.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.687 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.383 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.51 0.21 15.44 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.391 0.615 . . . . 0.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -85.0 7.8 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.52 140.4 14.54 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.64 -73.69 0.03 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.49 75.55 0.97 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.524 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -54.03 -22.0 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.699 0.285 . . . . 0.0 110.42 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.2 m -77.11 -32.32 56.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.1 m -76.52 -12.79 60.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.143 0.497 . . . . 0.0 109.717 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -59.73 165.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.459 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.43 -157.3 8.31 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.47 -12.81 44.28 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.69 106.97 2.52 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.5 t -92.98 -60.98 1.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.848 0.356 . . . . 0.0 110.625 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.5 m -75.2 3.19 9.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.344 0.593 . . . . 0.0 110.619 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 p -70.57 -8.62 52.92 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.504 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.3 tp -80.24 -18.55 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.535 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? 46.55 90.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.586 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.55 0.37 30.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.429 0.633 . . . . 0.0 110.685 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.492 ' O ' ' C ' ' A' ' 4' ' ' GLY . 15.6 tt -75.89 7.22 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 3' ' ' ILE . . . 25.7 85.27 0.01 OUTLIER Glycine 0 CA--C 1.527 0.837 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.703 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.42 -111.15 2.51 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 44.53 88.33 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.669 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.3 mm? -76.78 -16.54 59.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.329 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.4 t -61.44 -15.05 33.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 t -89.51 -12.86 38.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.02 0.438 . . . . 0.0 110.164 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 7' ' ' LEU . 9.4 p -47.86 153.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.651 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.49 100.56 0.5 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.89 -79.75 0.1 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.02 117.62 0.41 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.4 m -89.26 -66.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.768 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.4 p -91.31 3.09 55.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.328 0.585 . . . . 0.0 110.653 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.5 p -55.58 -19.94 11.79 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.7 tp -89.92 -25.75 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.78 59.74 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.417 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.479 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.85 0.3 13.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.46 0.648 . . . . 0.0 110.52 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER -93.1 7.38 5.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.031 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.17 107.02 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.34 -58.57 0.21 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 57.79 96.3 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.53 -16.72 62.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.33 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 p -67.93 -11.15 58.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.595 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -91.13 -13.02 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.284 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 10' ' ' VAL . 6.3 p -44.94 127.41 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.577 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.88 27.23 9.34 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.432 ' H ' HG22 ' A' ' 10' ' ' VAL . . . -94.05 -90.69 1.63 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.89 91.51 0.08 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.414 ' OG ' ' N ' ' A' ' 15' ' ' SER . 82.6 p -83.24 -61.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 110.742 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.414 ' N ' ' OG ' ' A' ' 14' ' ' SER . 95.0 p -75.55 3.16 9.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.342 0.591 . . . . 0.0 110.662 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -66.09 -42.64 89.06 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.588 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.414 HG23 ' H ' ' A' ' 19' ' ' TYR . 10.6 tt -81.2 -22.67 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? 44.38 34.01 0.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.598 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.414 ' H ' HG23 ' A' ' 17' ' ' ILE . 23.4 m-85 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.538 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.475 ' HA ' ' HE ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.466 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -69.66 0.21 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.401 0.619 . . . . 0.0 110.415 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 tt -71.78 8.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -41.06 109.9 0.17 Allowed Glycine 0 CA--C 1.525 0.689 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.064 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.95 -90.73 0.08 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.99 97.2 0.33 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 7' ' ' LEU . 4.4 mm? -60.73 -14.64 22.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.758 0.313 . . . . 0.0 110.369 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 t -80.77 -11.04 59.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.666 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 m -91.95 -12.87 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.15 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 10' ' ' VAL . 8.7 p -48.51 131.38 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.75 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.64 103.24 1.33 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.72 -19.77 0.22 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.563 ' O ' ' CG2' ' A' ' 16' ' ' THR . . . 80.69 118.95 0.4 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.1 p -94.53 -5.36 46.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.672 0.272 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.0 t -94.01 3.35 55.46 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.871 0.367 . . . . 0.0 111.892 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.563 ' CG2' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -67.64 -33.26 74.61 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.306 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.482 HG23 ' H ' ' A' ' 19' ' ' TYR . 5.1 tp -66.29 -22.04 29.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 tptt 58.2 38.73 26.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.586 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.482 ' H ' HG23 ' A' ' 17' ' ' ILE . 92.3 m-85 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.728 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 3' ' ' ILE . 50.5 ttt180 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.05 0.19 1.36 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.42 0.629 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.484 ' H ' ' C ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER -84.73 7.42 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.955 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.52 136.97 47.15 Favored Glycine 0 CA--C 1.524 0.624 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.937 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.2 -81.56 0.04 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.88 104.05 0.26 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.58 -31.08 70.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.31 . . . . 0.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 t -56.75 -10.45 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.429 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.4 m -93.07 -12.88 29.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.315 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 10' ' ' VAL . 7.2 p -41.85 131.17 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.645 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -110.53 51.93 0.67 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.65 -100.79 0.31 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.91 103.23 0.2 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.4 m -89.17 -66.05 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.951 0.405 . . . . 0.0 110.633 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.4 p -84.31 3.14 36.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.405 0.621 . . . . 0.0 110.552 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.6 p -64.67 -14.67 59.3 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.529 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 tp -78.25 -21.93 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.433 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? 58.97 85.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.609 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.55 0.21 18.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.394 0.616 . . . . 0.0 110.475 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.605 ' O ' HG22 ' A' ' 3' ' ' ILE . 5.6 mm -81.37 7.78 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.306 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.0 99.38 0.61 Allowed Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.858 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.92 -76.83 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.79 110.13 1.51 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.5 mm? -63.68 -10.28 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.704 0.288 . . . . 0.0 110.527 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.8 m -89.17 -12.67 40.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 p -80.2 -24.56 40.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 0.0 109.907 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 10' ' ' VAL . 2.3 p -50.44 126.06 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.769 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.34 -16.56 39.92 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.0 -71.53 0.47 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.54 124.98 0.77 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.0 p -92.82 -66.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.895 0.379 . . . . 0.0 110.726 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.0 t -79.75 3.11 20.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.267 0.556 . . . . 0.0 110.621 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.6 p -73.34 -25.7 60.72 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.575 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 tp -84.91 -30.76 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? 51.74 89.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.428 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.677 -179.878 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.511 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -96.0 0.43 51.7 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.387 0.613 . . . . 0.0 110.631 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.49 7.9 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.453 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . 39.22 -144.09 0.33 Allowed Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.15 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' GLY . . . 124.7 -75.03 0.4 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' GLY . . . 35.98 63.93 0.59 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.574 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.6 mm? -64.61 -33.08 75.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.424 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 t -89.51 -8.95 51.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.646 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.1 t -85.83 -38.47 18.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.15 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.554 HG22 ' H ' ' A' ' 12' ' ' GLY . 1.3 p -54.68 126.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.347 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.65 38.87 1.06 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.554 ' H ' HG22 ' A' ' 10' ' ' VAL . . . -84.05 -20.06 59.94 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 53.57 80.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.5 p -83.01 -6.64 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.599 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -91.56 3.21 55.56 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.42 0.629 . . . . 0.0 110.534 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.4 p -81.49 -51.82 7.89 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.469 HG23 ' H ' ' A' ' 19' ' ' TYR . 4.2 tp -48.21 -22.49 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.255 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? 54.15 36.28 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.642 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.469 ' H ' HG23 ' A' ' 17' ' ' ILE . 48.7 m-85 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.689 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.455 ' C ' ' H ' ' A' ' 3' ' ' ILE . 49.7 mtp180 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.475 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -65.91 0.25 1.93 Allowed 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.447 0.641 . . . . 0.0 110.511 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.455 ' H ' ' C ' ' A' ' 1' ' ' ARG . 14.1 tt -71.15 7.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -41.29 129.26 3.68 Favored Glycine 0 CA--C 1.525 0.687 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.02 -69.67 0.01 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.62 93.93 0.01 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 10' ' ' VAL . 13.4 mt -76.09 -6.86 53.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.739 0.304 . . . . 0.0 110.569 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -75.36 -13.67 60.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.357 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 m -92.54 -12.84 30.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.116 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.47 HG22 ' N ' ' A' ' 11' ' ' GLY . 8.7 p -44.15 159.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.63 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.47 ' N ' HG22 ' A' ' 10' ' ' VAL . . . -154.2 97.25 0.17 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.87 -48.38 0.03 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 162.51 93.92 0.1 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -84.77 -66.13 0.93 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.887 0.375 . . . . 0.0 110.759 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.0 m -81.85 3.17 27.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.336 0.589 . . . . 0.0 110.687 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 p -61.54 -58.16 9.24 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.741 HG23 ' H ' ' A' ' 19' ' ' TYR . 3.1 tp -75.29 -19.32 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.304 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? 52.08 35.31 16.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.624 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.741 ' H ' HG23 ' A' ' 17' ' ' ILE . 83.5 m-85 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.56 0.25 57.52 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.389 0.614 . . . . 0.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 5' ' ' GLY . 3.0 tp -101.46 7.89 9.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.432 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.5 77.07 0.01 OUTLIER Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 3' ' ' ILE . . . -91.01 -88.23 1.39 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.77 112.53 3.56 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.6 mm? -68.09 -27.09 66.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 110.395 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.3 m -71.94 -8.91 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.691 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -87.17 -12.88 45.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.105 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 7' ' ' LEU . 5.9 p -60.49 134.0 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.622 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.56 173.7 17.99 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.52 -10.08 65.62 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' CG2' ' A' ' 16' ' ' THR . . . 84.96 141.13 5.32 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 16' ' ' THR . 69.3 p -95.14 -59.22 1.94 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.017 0.437 . . . . 0.0 111.801 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.4 t -63.41 3.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.524 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.478 ' CG2' ' C ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -60.97 -28.01 68.69 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.338 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.6 tt -80.86 -12.28 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.711 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HZ3' ' HB2' ' A' ' 18' ' ' LYS . 0.7 OUTLIER 48.07 91.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.982 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.612 -179.754 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.84 0.14 14.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.428 0.632 . . . . 0.0 110.582 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.471 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER -76.48 7.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.958 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.22 121.9 2.26 Favored Glycine 0 CA--C 1.525 0.669 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.961 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.33 -78.07 0.02 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 8' ' ' SER . . . 69.11 95.42 0.05 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.452 ' O ' HG12 ' A' ' 10' ' ' VAL . 4.2 mm? -54.83 -7.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 110.401 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 6' ' ' GLY . 25.4 t -79.96 -14.94 58.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.47 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.2 m -92.89 -12.84 29.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.049 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 11' ' ' GLY . 12.2 p -42.89 157.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.711 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.46 ' N ' HG22 ' A' ' 10' ' ' VAL . . . -158.71 95.68 0.14 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.17 -72.6 0.04 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.402 ' CA ' ' OG1' ' A' ' 16' ' ' THR . . . -175.7 59.37 0.11 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 t -79.41 -39.31 32.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 110.762 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.8 m -96.63 3.26 52.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.338 0.589 . . . . 0.0 110.625 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.402 ' OG1' ' CA ' ' A' ' 13' ' ' GLY . 23.2 p -85.46 -35.52 21.18 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.595 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 18' ' ' LYS . 9.7 tp -56.7 -37.51 53.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' N ' HG23 ' A' ' 17' ' ' ILE . 35.5 tptt 45.56 78.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.687 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.383 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.51 0.21 15.44 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.391 0.615 . . . . 0.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -85.0 7.8 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.52 140.4 14.54 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.64 -73.69 0.03 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.49 75.55 0.97 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.524 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -54.03 -22.0 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.699 0.285 . . . . 0.0 110.42 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.2 m -77.11 -32.32 56.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.1 m -76.52 -12.79 60.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.143 0.497 . . . . 0.0 109.717 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -59.73 165.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.459 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.43 -157.3 8.31 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.47 -12.81 44.28 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.69 106.97 2.52 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.5 t -92.98 -60.98 1.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.848 0.356 . . . . 0.0 110.625 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.5 m -75.2 3.19 9.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.344 0.593 . . . . 0.0 110.619 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 p -70.57 -8.62 52.92 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.504 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.3 tp -80.24 -18.55 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.535 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? 46.55 90.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.586 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.55 0.37 30.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.429 0.633 . . . . 0.0 110.685 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.492 ' O ' ' C ' ' A' ' 4' ' ' GLY . 15.6 tt -75.89 7.22 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 3' ' ' ILE . . . 25.7 85.27 0.01 OUTLIER Glycine 0 CA--C 1.527 0.837 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.703 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.42 -111.15 2.51 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 44.53 88.33 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.669 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.3 mm? -76.78 -16.54 59.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.329 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.4 t -61.44 -15.05 33.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 t -89.51 -12.86 38.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.02 0.438 . . . . 0.0 110.164 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 7' ' ' LEU . 9.4 p -47.86 153.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.651 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.49 100.56 0.5 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.89 -79.75 0.1 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.02 117.62 0.41 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.4 m -89.26 -66.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.768 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.4 p -91.31 3.09 55.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.328 0.585 . . . . 0.0 110.653 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.5 p -55.58 -19.94 11.79 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.7 tp -89.92 -25.75 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.78 59.74 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.417 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.479 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.85 0.3 13.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.46 0.648 . . . . 0.0 110.52 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER -93.1 7.38 5.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.031 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.17 107.02 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.34 -58.57 0.21 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 57.79 96.3 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.53 -16.72 62.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.33 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 p -67.93 -11.15 58.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.595 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -91.13 -13.02 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.284 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 10' ' ' VAL . 6.3 p -44.94 127.41 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.577 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.88 27.23 9.34 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.432 ' H ' HG22 ' A' ' 10' ' ' VAL . . . -94.05 -90.69 1.63 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.89 91.51 0.08 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.414 ' OG ' ' N ' ' A' ' 15' ' ' SER . 82.6 p -83.24 -61.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 110.742 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.414 ' N ' ' OG ' ' A' ' 14' ' ' SER . 95.0 p -75.55 3.16 9.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.342 0.591 . . . . 0.0 110.662 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -66.09 -42.64 89.06 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.588 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.414 HG23 ' H ' ' A' ' 19' ' ' TYR . 10.6 tt -81.2 -22.67 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? 44.38 34.01 0.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.598 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.414 ' H ' HG23 ' A' ' 17' ' ' ILE . 23.4 m-85 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.538 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.475 ' HA ' ' HE ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.466 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -69.66 0.21 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.401 0.619 . . . . 0.0 110.415 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 tt -71.78 8.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -41.06 109.9 0.17 Allowed Glycine 0 CA--C 1.525 0.689 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.064 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.95 -90.73 0.08 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.99 97.2 0.33 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 7' ' ' LEU . 4.4 mm? -60.73 -14.64 22.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.758 0.313 . . . . 0.0 110.369 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 t -80.77 -11.04 59.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.666 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 m -91.95 -12.87 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.15 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 10' ' ' VAL . 8.7 p -48.51 131.38 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.75 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.64 103.24 1.33 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.72 -19.77 0.22 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.563 ' O ' ' CG2' ' A' ' 16' ' ' THR . . . 80.69 118.95 0.4 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.1 p -94.53 -5.36 46.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.672 0.272 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.0 t -94.01 3.35 55.46 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.871 0.367 . . . . 0.0 111.892 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.563 ' CG2' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -67.64 -33.26 74.61 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.306 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.482 HG23 ' H ' ' A' ' 19' ' ' TYR . 5.1 tp -66.29 -22.04 29.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 tptt 58.2 38.73 26.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.586 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.482 ' H ' HG23 ' A' ' 17' ' ' ILE . 92.3 m-85 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.728 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 3' ' ' ILE . 50.5 ttt180 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.05 0.19 1.36 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.42 0.629 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.484 ' H ' ' C ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER -84.73 7.42 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.955 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.52 136.97 47.15 Favored Glycine 0 CA--C 1.524 0.624 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.937 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.2 -81.56 0.04 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.88 104.05 0.26 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.58 -31.08 70.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.31 . . . . 0.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 t -56.75 -10.45 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.429 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.4 m -93.07 -12.88 29.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.315 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 10' ' ' VAL . 7.2 p -41.85 131.17 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.645 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -110.53 51.93 0.67 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.65 -100.79 0.31 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.91 103.23 0.2 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.4 m -89.17 -66.05 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.951 0.405 . . . . 0.0 110.633 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.4 p -84.31 3.14 36.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.405 0.621 . . . . 0.0 110.552 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.6 p -64.67 -14.67 59.3 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.529 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 tp -78.25 -21.93 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.433 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? 58.97 85.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.609 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.55 0.21 18.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.394 0.616 . . . . 0.0 110.475 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.605 ' O ' HG22 ' A' ' 3' ' ' ILE . 5.6 mm -81.37 7.78 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.306 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.0 99.38 0.61 Allowed Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.858 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.92 -76.83 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.79 110.13 1.51 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.5 mm? -63.68 -10.28 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.704 0.288 . . . . 0.0 110.527 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.8 m -89.17 -12.67 40.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 p -80.2 -24.56 40.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 0.0 109.907 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 10' ' ' VAL . 2.3 p -50.44 126.06 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.769 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.34 -16.56 39.92 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.0 -71.53 0.47 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.54 124.98 0.77 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.0 p -92.82 -66.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.895 0.379 . . . . 0.0 110.726 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.0 t -79.75 3.11 20.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.267 0.556 . . . . 0.0 110.621 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.6 p -73.34 -25.7 60.72 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.575 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 tp -84.91 -30.76 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? 51.74 89.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.428 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.677 -179.878 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.511 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -96.0 0.43 51.7 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.387 0.613 . . . . 0.0 110.631 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.49 7.9 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.453 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . 39.22 -144.09 0.33 Allowed Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.15 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' GLY . . . 124.7 -75.03 0.4 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' GLY . . . 35.98 63.93 0.59 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.574 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.6 mm? -64.61 -33.08 75.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.424 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 t -89.51 -8.95 51.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.646 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.1 t -85.83 -38.47 18.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.15 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.554 HG22 ' H ' ' A' ' 12' ' ' GLY . 1.3 p -54.68 126.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.347 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.65 38.87 1.06 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.554 ' H ' HG22 ' A' ' 10' ' ' VAL . . . -84.05 -20.06 59.94 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 53.57 80.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.5 p -83.01 -6.64 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.599 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -91.56 3.21 55.56 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.42 0.629 . . . . 0.0 110.534 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.4 p -81.49 -51.82 7.89 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.469 HG23 ' H ' ' A' ' 19' ' ' TYR . 4.2 tp -48.21 -22.49 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.255 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? 54.15 36.28 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.642 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.469 ' H ' HG23 ' A' ' 17' ' ' ILE . 48.7 m-85 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.689 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.455 ' C ' ' H ' ' A' ' 3' ' ' ILE . 49.7 mtp180 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.475 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -65.91 0.25 1.93 Allowed 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.447 0.641 . . . . 0.0 110.511 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.455 ' H ' ' C ' ' A' ' 1' ' ' ARG . 14.1 tt -71.15 7.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -41.29 129.26 3.68 Favored Glycine 0 CA--C 1.525 0.687 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.02 -69.67 0.01 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.62 93.93 0.01 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 10' ' ' VAL . 13.4 mt -76.09 -6.86 53.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.739 0.304 . . . . 0.0 110.569 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -75.36 -13.67 60.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.357 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 m -92.54 -12.84 30.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.116 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.47 HG22 ' N ' ' A' ' 11' ' ' GLY . 8.7 p -44.15 159.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.63 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.47 ' N ' HG22 ' A' ' 10' ' ' VAL . . . -154.2 97.25 0.17 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.87 -48.38 0.03 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 162.51 93.92 0.1 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -84.77 -66.13 0.93 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.887 0.375 . . . . 0.0 110.759 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.0 m -81.85 3.17 27.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.336 0.589 . . . . 0.0 110.687 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 p -61.54 -58.16 9.24 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.741 HG23 ' H ' ' A' ' 19' ' ' TYR . 3.1 tp -75.29 -19.32 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.304 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? 52.08 35.31 16.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.624 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.741 ' H ' HG23 ' A' ' 17' ' ' ILE . 83.5 m-85 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.56 0.25 57.52 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.389 0.614 . . . . 0.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 5' ' ' GLY . 3.0 tp -101.46 7.89 9.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.432 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.5 77.07 0.01 OUTLIER Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 3' ' ' ILE . . . -91.01 -88.23 1.39 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.77 112.53 3.56 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.6 mm? -68.09 -27.09 66.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 110.395 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.3 m -71.94 -8.91 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.691 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -87.17 -12.88 45.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.105 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 7' ' ' LEU . 5.9 p -60.49 134.0 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.622 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.56 173.7 17.99 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.52 -10.08 65.62 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' CG2' ' A' ' 16' ' ' THR . . . 84.96 141.13 5.32 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 16' ' ' THR . 69.3 p -95.14 -59.22 1.94 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.017 0.437 . . . . 0.0 111.801 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.4 t -63.41 3.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.524 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.478 ' CG2' ' C ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -60.97 -28.01 68.69 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.338 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.6 tt -80.86 -12.28 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.711 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HZ3' ' HB2' ' A' ' 18' ' ' LYS . 0.7 OUTLIER 48.07 91.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.982 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.612 -179.754 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.84 0.14 14.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.428 0.632 . . . . 0.0 110.582 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.471 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER -76.48 7.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.958 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.22 121.9 2.26 Favored Glycine 0 CA--C 1.525 0.669 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.961 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.33 -78.07 0.02 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 8' ' ' SER . . . 69.11 95.42 0.05 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.452 ' O ' HG12 ' A' ' 10' ' ' VAL . 4.2 mm? -54.83 -7.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 110.401 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 6' ' ' GLY . 25.4 t -79.96 -14.94 58.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.47 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.2 m -92.89 -12.84 29.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.049 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 11' ' ' GLY . 12.2 p -42.89 157.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.711 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.46 ' N ' HG22 ' A' ' 10' ' ' VAL . . . -158.71 95.68 0.14 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.17 -72.6 0.04 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.402 ' CA ' ' OG1' ' A' ' 16' ' ' THR . . . -175.7 59.37 0.11 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 t -79.41 -39.31 32.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 110.762 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.8 m -96.63 3.26 52.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.338 0.589 . . . . 0.0 110.625 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.402 ' OG1' ' CA ' ' A' ' 13' ' ' GLY . 23.2 p -85.46 -35.52 21.18 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.595 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 18' ' ' LYS . 9.7 tp -56.7 -37.51 53.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' N ' HG23 ' A' ' 17' ' ' ILE . 35.5 tptt 45.56 78.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.687 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.383 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.51 0.21 15.44 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.391 0.615 . . . . 0.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -85.0 7.8 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.52 140.4 14.54 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.64 -73.69 0.03 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.49 75.55 0.97 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.524 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -54.03 -22.0 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.699 0.285 . . . . 0.0 110.42 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.2 m -77.11 -32.32 56.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.1 m -76.52 -12.79 60.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.143 0.497 . . . . 0.0 109.717 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -59.73 165.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.459 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.43 -157.3 8.31 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.47 -12.81 44.28 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.69 106.97 2.52 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.5 t -92.98 -60.98 1.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.848 0.356 . . . . 0.0 110.625 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.5 m -75.2 3.19 9.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.344 0.593 . . . . 0.0 110.619 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 p -70.57 -8.62 52.92 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.504 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.3 tp -80.24 -18.55 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.535 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? 46.55 90.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.586 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.55 0.37 30.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.429 0.633 . . . . 0.0 110.685 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.492 ' O ' ' C ' ' A' ' 4' ' ' GLY . 15.6 tt -75.89 7.22 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 3' ' ' ILE . . . 25.7 85.27 0.01 OUTLIER Glycine 0 CA--C 1.527 0.837 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.703 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.42 -111.15 2.51 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 44.53 88.33 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.669 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.3 mm? -76.78 -16.54 59.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.329 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.4 t -61.44 -15.05 33.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 t -89.51 -12.86 38.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.02 0.438 . . . . 0.0 110.164 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 7' ' ' LEU . 9.4 p -47.86 153.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.651 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.49 100.56 0.5 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.89 -79.75 0.1 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.02 117.62 0.41 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.4 m -89.26 -66.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.768 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.4 p -91.31 3.09 55.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.328 0.585 . . . . 0.0 110.653 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.5 p -55.58 -19.94 11.79 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.7 tp -89.92 -25.75 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.78 59.74 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.417 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.479 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.85 0.3 13.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.46 0.648 . . . . 0.0 110.52 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER -93.1 7.38 5.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.031 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.17 107.02 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.34 -58.57 0.21 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 57.79 96.3 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.53 -16.72 62.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.33 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 p -67.93 -11.15 58.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.595 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -91.13 -13.02 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.284 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 10' ' ' VAL . 6.3 p -44.94 127.41 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.577 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.88 27.23 9.34 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.432 ' H ' HG22 ' A' ' 10' ' ' VAL . . . -94.05 -90.69 1.63 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.89 91.51 0.08 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.414 ' OG ' ' N ' ' A' ' 15' ' ' SER . 82.6 p -83.24 -61.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 110.742 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.414 ' N ' ' OG ' ' A' ' 14' ' ' SER . 95.0 p -75.55 3.16 9.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.342 0.591 . . . . 0.0 110.662 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -66.09 -42.64 89.06 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.588 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.414 HG23 ' H ' ' A' ' 19' ' ' TYR . 10.6 tt -81.2 -22.67 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? 44.38 34.01 0.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.598 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.414 ' H ' HG23 ' A' ' 17' ' ' ILE . 23.4 m-85 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.538 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.475 ' HA ' ' HE ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.466 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -69.66 0.21 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.401 0.619 . . . . 0.0 110.415 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 tt -71.78 8.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -41.06 109.9 0.17 Allowed Glycine 0 CA--C 1.525 0.689 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.064 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.95 -90.73 0.08 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.99 97.2 0.33 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 7' ' ' LEU . 4.4 mm? -60.73 -14.64 22.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.758 0.313 . . . . 0.0 110.369 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 t -80.77 -11.04 59.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.666 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 m -91.95 -12.87 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.15 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 10' ' ' VAL . 8.7 p -48.51 131.38 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.75 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.64 103.24 1.33 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.72 -19.77 0.22 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.563 ' O ' ' CG2' ' A' ' 16' ' ' THR . . . 80.69 118.95 0.4 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.1 p -94.53 -5.36 46.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.672 0.272 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.0 t -94.01 3.35 55.46 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.871 0.367 . . . . 0.0 111.892 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.563 ' CG2' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -67.64 -33.26 74.61 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.306 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.482 HG23 ' H ' ' A' ' 19' ' ' TYR . 5.1 tp -66.29 -22.04 29.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 tptt 58.2 38.73 26.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.586 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.482 ' H ' HG23 ' A' ' 17' ' ' ILE . 92.3 m-85 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.728 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 3' ' ' ILE . 50.5 ttt180 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.05 0.19 1.36 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.42 0.629 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.484 ' H ' ' C ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER -84.73 7.42 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.955 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.52 136.97 47.15 Favored Glycine 0 CA--C 1.524 0.624 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.937 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.2 -81.56 0.04 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.88 104.05 0.26 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.58 -31.08 70.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.31 . . . . 0.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 t -56.75 -10.45 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.429 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.4 m -93.07 -12.88 29.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.315 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 10' ' ' VAL . 7.2 p -41.85 131.17 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.645 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -110.53 51.93 0.67 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.65 -100.79 0.31 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.91 103.23 0.2 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.4 m -89.17 -66.05 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.951 0.405 . . . . 0.0 110.633 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.4 p -84.31 3.14 36.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.405 0.621 . . . . 0.0 110.552 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.6 p -64.67 -14.67 59.3 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.529 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 tp -78.25 -21.93 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.433 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? 58.97 85.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.609 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.55 0.21 18.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.394 0.616 . . . . 0.0 110.475 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.605 ' O ' HG22 ' A' ' 3' ' ' ILE . 5.6 mm -81.37 7.78 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.306 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.0 99.38 0.61 Allowed Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.858 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.92 -76.83 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.79 110.13 1.51 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.5 mm? -63.68 -10.28 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.704 0.288 . . . . 0.0 110.527 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.8 m -89.17 -12.67 40.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 p -80.2 -24.56 40.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 0.0 109.907 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 10' ' ' VAL . 2.3 p -50.44 126.06 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.769 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.34 -16.56 39.92 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.0 -71.53 0.47 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.54 124.98 0.77 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.0 p -92.82 -66.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.895 0.379 . . . . 0.0 110.726 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.0 t -79.75 3.11 20.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.267 0.556 . . . . 0.0 110.621 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.6 p -73.34 -25.7 60.72 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.575 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 tp -84.91 -30.76 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? 51.74 89.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.428 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.677 -179.878 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.511 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -96.0 0.43 51.7 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.387 0.613 . . . . 0.0 110.631 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.49 7.9 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.453 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . 39.22 -144.09 0.33 Allowed Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.15 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' GLY . . . 124.7 -75.03 0.4 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' GLY . . . 35.98 63.93 0.59 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.574 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.6 mm? -64.61 -33.08 75.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.424 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 t -89.51 -8.95 51.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.646 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.1 t -85.83 -38.47 18.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.15 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.554 HG22 ' H ' ' A' ' 12' ' ' GLY . 1.3 p -54.68 126.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.347 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.65 38.87 1.06 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.554 ' H ' HG22 ' A' ' 10' ' ' VAL . . . -84.05 -20.06 59.94 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 53.57 80.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.5 p -83.01 -6.64 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.599 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -91.56 3.21 55.56 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.42 0.629 . . . . 0.0 110.534 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.4 p -81.49 -51.82 7.89 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.469 HG23 ' H ' ' A' ' 19' ' ' TYR . 4.2 tp -48.21 -22.49 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.255 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? 54.15 36.28 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.642 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.469 ' H ' HG23 ' A' ' 17' ' ' ILE . 48.7 m-85 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.689 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.455 ' C ' ' H ' ' A' ' 3' ' ' ILE . 49.7 mtp180 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.475 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -65.91 0.25 1.93 Allowed 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.447 0.641 . . . . 0.0 110.511 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.455 ' H ' ' C ' ' A' ' 1' ' ' ARG . 14.1 tt -71.15 7.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -41.29 129.26 3.68 Favored Glycine 0 CA--C 1.525 0.687 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.02 -69.67 0.01 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.62 93.93 0.01 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 10' ' ' VAL . 13.4 mt -76.09 -6.86 53.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.739 0.304 . . . . 0.0 110.569 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -75.36 -13.67 60.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.357 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 m -92.54 -12.84 30.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.116 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.47 HG22 ' N ' ' A' ' 11' ' ' GLY . 8.7 p -44.15 159.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.63 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.47 ' N ' HG22 ' A' ' 10' ' ' VAL . . . -154.2 97.25 0.17 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.87 -48.38 0.03 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 162.51 93.92 0.1 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -84.77 -66.13 0.93 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.887 0.375 . . . . 0.0 110.759 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.0 m -81.85 3.17 27.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.336 0.589 . . . . 0.0 110.687 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 p -61.54 -58.16 9.24 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.741 HG23 ' H ' ' A' ' 19' ' ' TYR . 3.1 tp -75.29 -19.32 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.304 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? 52.08 35.31 16.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.624 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.741 ' H ' HG23 ' A' ' 17' ' ' ILE . 83.5 m-85 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.56 0.25 57.52 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.389 0.614 . . . . 0.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 5' ' ' GLY . 3.0 tp -101.46 7.89 9.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.432 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.5 77.07 0.01 OUTLIER Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 3' ' ' ILE . . . -91.01 -88.23 1.39 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.77 112.53 3.56 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.6 mm? -68.09 -27.09 66.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 110.395 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.3 m -71.94 -8.91 57.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.691 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -87.17 -12.88 45.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.105 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 7' ' ' LEU . 5.9 p -60.49 134.0 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.622 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.56 173.7 17.99 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.52 -10.08 65.62 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' CG2' ' A' ' 16' ' ' THR . . . 84.96 141.13 5.32 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 16' ' ' THR . 69.3 p -95.14 -59.22 1.94 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.017 0.437 . . . . 0.0 111.801 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.4 t -63.41 3.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.524 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.478 ' CG2' ' C ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -60.97 -28.01 68.69 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.338 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.6 tt -80.86 -12.28 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.711 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HZ3' ' HB2' ' A' ' 18' ' ' LYS . 0.7 OUTLIER 48.07 91.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.982 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.612 -179.754 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.84 0.14 14.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.428 0.632 . . . . 0.0 110.582 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.471 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER -76.48 7.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.958 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.22 121.9 2.26 Favored Glycine 0 CA--C 1.525 0.669 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.961 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.33 -78.07 0.02 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 8' ' ' SER . . . 69.11 95.42 0.05 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.452 ' O ' HG12 ' A' ' 10' ' ' VAL . 4.2 mm? -54.83 -7.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 110.401 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 6' ' ' GLY . 25.4 t -79.96 -14.94 58.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.47 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.2 m -92.89 -12.84 29.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.049 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 11' ' ' GLY . 12.2 p -42.89 157.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.711 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.46 ' N ' HG22 ' A' ' 10' ' ' VAL . . . -158.71 95.68 0.14 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.17 -72.6 0.04 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.402 ' CA ' ' OG1' ' A' ' 16' ' ' THR . . . -175.7 59.37 0.11 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 t -79.41 -39.31 32.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 110.762 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.8 m -96.63 3.26 52.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.338 0.589 . . . . 0.0 110.625 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.402 ' OG1' ' CA ' ' A' ' 13' ' ' GLY . 23.2 p -85.46 -35.52 21.18 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.595 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 18' ' ' LYS . 9.7 tp -56.7 -37.51 53.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' N ' HG23 ' A' ' 17' ' ' ILE . 35.5 tptt 45.56 78.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.687 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.383 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.51 0.21 15.44 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.391 0.615 . . . . 0.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -85.0 7.8 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.52 140.4 14.54 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.64 -73.69 0.03 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.49 75.55 0.97 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.524 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -54.03 -22.0 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.699 0.285 . . . . 0.0 110.42 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.2 m -77.11 -32.32 56.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.1 m -76.52 -12.79 60.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.143 0.497 . . . . 0.0 109.717 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -59.73 165.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.459 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.43 -157.3 8.31 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.47 -12.81 44.28 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.69 106.97 2.52 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.5 t -92.98 -60.98 1.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.848 0.356 . . . . 0.0 110.625 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.5 m -75.2 3.19 9.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.344 0.593 . . . . 0.0 110.619 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 p -70.57 -8.62 52.92 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.504 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.3 tp -80.24 -18.55 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.535 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? 46.55 90.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.586 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.55 0.37 30.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.429 0.633 . . . . 0.0 110.685 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.492 ' O ' ' C ' ' A' ' 4' ' ' GLY . 15.6 tt -75.89 7.22 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 3' ' ' ILE . . . 25.7 85.27 0.01 OUTLIER Glycine 0 CA--C 1.527 0.837 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.703 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.42 -111.15 2.51 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 44.53 88.33 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.669 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.3 mm? -76.78 -16.54 59.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.329 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.4 t -61.44 -15.05 33.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 t -89.51 -12.86 38.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.02 0.438 . . . . 0.0 110.164 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 7' ' ' LEU . 9.4 p -47.86 153.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.651 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.49 100.56 0.5 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.89 -79.75 0.1 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.02 117.62 0.41 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.4 m -89.26 -66.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.768 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.4 p -91.31 3.09 55.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.328 0.585 . . . . 0.0 110.653 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.5 p -55.58 -19.94 11.79 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.7 tp -89.92 -25.75 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.78 59.74 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.417 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.479 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.85 0.3 13.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.46 0.648 . . . . 0.0 110.52 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER -93.1 7.38 5.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.031 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.17 107.02 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.34 -58.57 0.21 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 57.79 96.3 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.53 -16.72 62.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.33 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 p -67.93 -11.15 58.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.595 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -91.13 -13.02 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.284 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 10' ' ' VAL . 6.3 p -44.94 127.41 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.577 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.88 27.23 9.34 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.432 ' H ' HG22 ' A' ' 10' ' ' VAL . . . -94.05 -90.69 1.63 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.89 91.51 0.08 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.414 ' OG ' ' N ' ' A' ' 15' ' ' SER . 82.6 p -83.24 -61.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 110.742 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.414 ' N ' ' OG ' ' A' ' 14' ' ' SER . 95.0 p -75.55 3.16 9.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.342 0.591 . . . . 0.0 110.662 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -66.09 -42.64 89.06 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.588 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.414 HG23 ' H ' ' A' ' 19' ' ' TYR . 10.6 tt -81.2 -22.67 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? 44.38 34.01 0.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.598 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.414 ' H ' HG23 ' A' ' 17' ' ' ILE . 23.4 m-85 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.538 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.475 ' HA ' ' HE ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.466 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -69.66 0.21 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.401 0.619 . . . . 0.0 110.415 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 tt -71.78 8.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -41.06 109.9 0.17 Allowed Glycine 0 CA--C 1.525 0.689 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.064 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.95 -90.73 0.08 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.99 97.2 0.33 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 7' ' ' LEU . 4.4 mm? -60.73 -14.64 22.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.758 0.313 . . . . 0.0 110.369 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 t -80.77 -11.04 59.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.666 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 m -91.95 -12.87 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.15 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 10' ' ' VAL . 8.7 p -48.51 131.38 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.75 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.64 103.24 1.33 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.72 -19.77 0.22 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.563 ' O ' ' CG2' ' A' ' 16' ' ' THR . . . 80.69 118.95 0.4 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.1 p -94.53 -5.36 46.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.672 0.272 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.0 t -94.01 3.35 55.46 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.871 0.367 . . . . 0.0 111.892 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.563 ' CG2' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -67.64 -33.26 74.61 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.306 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.482 HG23 ' H ' ' A' ' 19' ' ' TYR . 5.1 tp -66.29 -22.04 29.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 tptt 58.2 38.73 26.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.586 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.482 ' H ' HG23 ' A' ' 17' ' ' ILE . 92.3 m-85 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.728 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 3' ' ' ILE . 50.5 ttt180 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.05 0.19 1.36 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.42 0.629 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.484 ' H ' ' C ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER -84.73 7.42 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.955 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.52 136.97 47.15 Favored Glycine 0 CA--C 1.524 0.624 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.937 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.2 -81.56 0.04 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.88 104.05 0.26 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.58 -31.08 70.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.31 . . . . 0.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 t -56.75 -10.45 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.429 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.4 m -93.07 -12.88 29.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.315 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 10' ' ' VAL . 7.2 p -41.85 131.17 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.645 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -110.53 51.93 0.67 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.65 -100.79 0.31 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.91 103.23 0.2 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.4 m -89.17 -66.05 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.951 0.405 . . . . 0.0 110.633 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.4 p -84.31 3.14 36.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.405 0.621 . . . . 0.0 110.552 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.6 p -64.67 -14.67 59.3 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.529 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 tp -78.25 -21.93 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.433 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? 58.97 85.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.609 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.55 0.21 18.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.394 0.616 . . . . 0.0 110.475 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.605 ' O ' HG22 ' A' ' 3' ' ' ILE . 5.6 mm -81.37 7.78 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.306 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.0 99.38 0.61 Allowed Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.858 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.92 -76.83 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.79 110.13 1.51 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.5 mm? -63.68 -10.28 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.704 0.288 . . . . 0.0 110.527 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.8 m -89.17 -12.67 40.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 p -80.2 -24.56 40.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 0.0 109.907 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 10' ' ' VAL . 2.3 p -50.44 126.06 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.769 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.34 -16.56 39.92 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.0 -71.53 0.47 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.54 124.98 0.77 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.0 p -92.82 -66.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.895 0.379 . . . . 0.0 110.726 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.0 t -79.75 3.11 20.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.267 0.556 . . . . 0.0 110.621 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.6 p -73.34 -25.7 60.72 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.575 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 tp -84.91 -30.76 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? 51.74 89.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.428 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.677 -179.878 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.511 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -96.0 0.43 51.7 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.387 0.613 . . . . 0.0 110.631 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.49 7.9 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.453 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . 39.22 -144.09 0.33 Allowed Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.15 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' GLY . . . 124.7 -75.03 0.4 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' GLY . . . 35.98 63.93 0.59 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.574 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.6 mm? -64.61 -33.08 75.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.424 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 t -89.51 -8.95 51.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.646 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.1 t -85.83 -38.47 18.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.15 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.554 HG22 ' H ' ' A' ' 12' ' ' GLY . 1.3 p -54.68 126.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.347 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.65 38.87 1.06 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.554 ' H ' HG22 ' A' ' 10' ' ' VAL . . . -84.05 -20.06 59.94 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 53.57 80.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.5 p -83.01 -6.64 59.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.599 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -91.56 3.21 55.56 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.42 0.629 . . . . 0.0 110.534 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.4 p -81.49 -51.82 7.89 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.469 HG23 ' H ' ' A' ' 19' ' ' TYR . 4.2 tp -48.21 -22.49 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.255 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? 54.15 36.28 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.642 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.469 ' H ' HG23 ' A' ' 17' ' ' ILE . 48.7 m-85 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.689 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.455 ' C ' ' H ' ' A' ' 3' ' ' ILE . 49.7 mtp180 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.475 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -65.91 0.25 1.93 Allowed 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.447 0.641 . . . . 0.0 110.511 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.455 ' H ' ' C ' ' A' ' 1' ' ' ARG . 14.1 tt -71.15 7.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -41.29 129.26 3.68 Favored Glycine 0 CA--C 1.525 0.687 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.02 -69.67 0.01 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.62 93.93 0.01 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 10' ' ' VAL . 13.4 mt -76.09 -6.86 53.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.739 0.304 . . . . 0.0 110.569 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -75.36 -13.67 60.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.357 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 m -92.54 -12.84 30.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.116 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.47 HG22 ' N ' ' A' ' 11' ' ' GLY . 8.7 p -44.15 159.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.63 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.47 ' N ' HG22 ' A' ' 10' ' ' VAL . . . -154.2 97.25 0.17 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.87 -48.38 0.03 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 162.51 93.92 0.1 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -84.77 -66.13 0.93 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.887 0.375 . . . . 0.0 110.759 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.0 m -81.85 3.17 27.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.336 0.589 . . . . 0.0 110.687 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 p -61.54 -58.16 9.24 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.741 HG23 ' H ' ' A' ' 19' ' ' TYR . 3.1 tp -75.29 -19.32 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.304 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? 52.08 35.31 16.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.624 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.741 ' H ' HG23 ' A' ' 17' ' ' ILE . 83.5 m-85 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 stop_ save_