data_2myq_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 2myq _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 14' ' ' PHE . . . . . . . . . . . . . 9.9 t80 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.884 0.373 . . . . 62.43 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mt -51.96 -37.36 52.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.967 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.28 -65.24 3.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 71.52 112.487 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -31.31 29.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 72.31 110.858 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -52.38 28.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 71.15 110.873 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.2 t -54.96 -27.01 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 72.41 111.1 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.4 ttp -82.94 -37.61 23.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.876 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.17 -30.38 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 71.03 110.915 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -79.15 -35.2 42.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.866 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.35 -23.46 32.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 74.23 110.96 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -78.87 -26.43 43.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 71.52 110.877 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -84.98 -26.04 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.889 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.1 -27.14 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.55 110.832 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.98 -35.9 82.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 64.34 110.848 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.9 mt -56.44 -26.19 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 75.23 111.181 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.0 -23.42 35.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 75.43 112.462 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 21.9 mt -94.74 -9.02 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 75.2 111.137 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.21 -0.53 15.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 62.03 110.845 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.83 156.2 1.73 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.578 0.704 . . . . 74.14 110.883 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -46.41 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.259 . . . . 63.42 112.348 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -53.33 -27.53 23.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 64.53 110.946 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.73 -36.02 45.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.882 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -39.42 92.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 75.21 110.877 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -71.55 -31.74 67.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.866 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -83.38 -22.42 32.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.878 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.99 -22.82 22.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.981 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.94 -49.55 36.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.906 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -68.74 -24.77 64.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 73.41 110.916 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.84 -29.34 23.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 53.42 111.126 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.26 -23.53 26.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 73.21 111.115 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 64.21 110.893 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.869 0.366 . . . . 63.12 110.908 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mt -55.02 -36.91 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 74.2 110.9 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.21 -64.69 3.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.706 -0.759 . . . . 72.43 112.53 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.12 -30.23 25.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 74.22 110.875 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -51.91 23.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 71.34 110.892 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.3 t -56.54 -26.04 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 64.44 111.13 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.7 ttp -84.7 -38.59 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.03 110.906 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -70.43 -27.35 64.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.903 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -81.49 -33.71 31.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 73.44 110.87 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.74 -24.68 26.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 72.43 110.93 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.58 -30.78 57.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 73.4 110.866 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.74 -22.68 53.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 75.44 110.918 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -97.31 -32.23 12.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.877 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -52.54 -37.81 58.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.873 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.4 mt -54.93 -26.11 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 73.01 111.129 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.57 -16.24 29.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.701 -0.761 . . . . 72.33 112.492 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.8 mt -93.35 -16.13 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 72.43 111.144 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.22 0.02 21.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 71.12 110.832 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.69 155.61 1.87 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.729 . . . . 74.24 110.885 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -46.58 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.277 . . . . 72.54 112.364 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -52.88 -27.58 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 72.04 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.47 -40.11 58.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 73.53 110.855 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -36.94 85.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 72.55 110.855 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.33 -32.31 64.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 63.34 110.906 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -22.61 34.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.45 110.859 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 tp -89.19 -22.63 22.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.904 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.78 -48.22 40.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.916 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.34 -24.84 63.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.938 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.23 -29.36 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.31 111.061 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.7 -23.45 27.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 73.15 111.098 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.896 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.5 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.844 0.354 . . . . 73.55 110.863 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.4 mt -56.27 -39.82 73.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 72.33 110.95 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.46 -65.34 3.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 64.51 112.478 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.6 m -52.05 -31.19 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 72.44 110.882 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.34 -52.39 27.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 72.22 110.921 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.7 t -54.81 -27.09 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 55.24 111.166 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.1 ttt -82.78 -38.05 23.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.912 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.86 -31.15 69.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 74.02 110.937 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.02 -35.07 50.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 73.22 110.909 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.62 -26.46 32.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 72.14 110.912 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -78.0 -29.2 49.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.83 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.4 mt -80.61 -20.84 42.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 74.32 110.909 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -98.86 -32.64 11.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 75.31 110.873 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.59 -29.99 64.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 63.24 110.925 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.1 mt -54.64 -26.34 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 74.44 111.14 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.34 7.9 24.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 63.54 112.49 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.0 mt -116.9 -18.23 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 71.43 111.139 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.78 0.36 22.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 75.32 110.901 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.84 155.53 1.96 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.629 0.728 . . . . 74.34 110.84 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -46.66 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.266 . . . . 75.44 112.331 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -52.77 -27.64 18.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 75.51 110.853 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -45.42 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.88 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -30.52 70.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.847 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.32 -33.3 49.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.878 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -82.09 -22.61 36.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 74.22 110.895 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -22.37 22.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 74.41 110.901 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -47.95 39.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 75.24 110.923 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -24.74 63.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.951 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.6 -28.86 23.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 72.2 111.104 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.9 -23.4 27.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 74.21 111.095 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.13 110.903 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.9 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.931 0.396 . . . . 73.0 110.908 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mt -52.56 -38.98 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 74.35 110.901 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.29 -65.6 3.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 65.33 112.51 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.1 t -51.98 -31.58 29.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 72.51 110.866 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.76 -52.52 29.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 64.42 110.89 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.4 t -54.27 -27.38 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.151 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.2 ttm -82.46 -37.64 25.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 73.23 110.893 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.98 -30.67 69.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 72.11 110.891 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -78.88 -35.27 43.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 73.21 110.923 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.14 -23.4 32.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 73.23 110.917 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.36 -26.23 42.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.874 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -84.95 -28.56 25.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 75.34 110.926 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.02 -29.85 20.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 71.25 110.832 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -58.42 -44.8 89.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 75.34 110.82 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.6 mm -56.35 -26.0 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 74.21 111.153 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.57 -24.58 45.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.772 -0.728 . . . . 51.14 112.471 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.8 mt -95.4 -13.08 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 74.51 111.116 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.7 -0.24 18.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.903 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.63 155.89 1.75 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.578 0.704 . . . . 65.34 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -46.49 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 2.255 . . . . 73.21 112.369 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -53.1 -27.47 20.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.938 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.69 -33.74 35.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 73.51 110.829 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -41.11 94.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 75.42 110.891 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -70.09 -32.33 70.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.855 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.42 -22.83 35.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.885 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.0 tp -89.11 -22.61 22.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 72.31 110.94 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 tt -76.71 -39.97 50.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 72.13 110.939 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -25.05 59.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 72.35 110.943 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.97 -33.86 19.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 72.33 111.116 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.16 38.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 62.31 111.072 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 73.01 110.849 -179.889 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.7 t80 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.85 0.357 . . . . 74.23 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -34.26 69.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 74.14 110.972 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.77 -57.26 16.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 73.13 112.488 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.5 p -57.15 -31.57 65.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 72.24 110.863 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.28 -51.13 26.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 75.41 110.921 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.08 -23.94 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 64.43 111.16 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.9 ttm -87.33 -36.46 17.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.917 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -72.36 -27.3 62.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 74.44 110.883 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -81.92 -33.43 30.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 65.54 110.912 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.73 -22.28 27.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.898 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -78.37 -28.21 47.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 64.33 110.881 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.2 -24.85 34.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 73.44 110.907 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -25.74 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.855 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.73 -28.69 67.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 71.04 110.848 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.8 mt -56.27 -26.29 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 75.34 111.088 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.86 2.57 58.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 53.12 112.489 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.3 mt -121.15 -7.33 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 63.1 111.147 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.04 -0.25 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 74.54 110.868 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.79 156.53 1.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.608 0.718 . . . . 73.51 110.875 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -45.72 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 72.42 112.335 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -54.5 -25.51 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.02 110.898 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -29.0 49.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 71.24 110.859 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -55.98 24.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 65.12 110.915 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.0 ptt180 -64.51 -20.24 66.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 75.45 110.82 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.84 -26.3 24.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 73.51 110.879 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 tp -94.55 -18.81 21.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 75.15 110.934 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mt -79.95 -40.37 28.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 70.3 110.903 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -76.71 -23.22 53.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.896 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.21 -36.34 16.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.11 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.62 -33.02 62.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 43.23 111.105 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.849 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.1 t80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.899 0.381 . . . . 71.42 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.53 -47.23 76.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.898 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.02 -47.59 59.84 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 65.04 112.466 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.4 m -68.96 -12.78 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.906 0.384 . . . . 72.43 110.833 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.79 -47.8 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.55 110.856 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.6 t -55.37 -29.47 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 74.21 111.131 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.1 ptm -79.03 -33.94 44.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.904 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.95 -34.7 71.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.93 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -77.64 -27.36 51.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 72.35 110.92 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.3 -29.68 30.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 73.52 110.922 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -77.48 -25.77 50.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.87 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.01 -25.69 34.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 73.21 110.938 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -90.56 -32.12 16.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 70.13 110.914 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -53.16 -48.88 67.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.827 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.8 mm -55.14 -26.04 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.1 111.145 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.56 -26.45 38.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 75.02 112.467 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.0 mt -93.25 -12.66 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 74.23 111.122 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.12 -0.09 18.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.14 110.832 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.6 155.83 1.75 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.646 0.736 . . . . 74.41 110.855 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -46.64 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 73.12 112.357 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -52.99 -27.49 19.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 74.3 110.909 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -42.48 62.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 72.43 110.847 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -35.5 80.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.51 110.893 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -74.43 -32.74 62.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 75.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.39 -22.63 35.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.893 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 tp -89.4 -22.53 22.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 73.4 110.863 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.3 tp -73.12 -47.67 42.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.907 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -69.79 -24.81 63.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 73.01 110.92 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.88 -28.61 22.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 72.4 111.091 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.94 -23.48 26.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 73.31 111.108 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 75.22 110.874 -179.903 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.8 t80 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.914 0.388 . . . . 72.34 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -47.73 79.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 72.14 110.929 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.62 -45.28 68.3 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 70.43 112.509 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -13.47 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 74.53 110.825 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.72 -47.46 7.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 72.03 110.923 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.7 t -55.76 -29.37 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 72.32 111.164 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -79.11 -33.95 43.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 75.15 110.865 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.95 -34.65 71.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.412 . . . . 73.35 110.886 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -77.73 -27.44 50.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.926 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.37 -29.47 30.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 73.54 110.891 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -77.24 -25.76 51.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 71.32 110.865 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -82.83 -25.88 32.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 73.04 110.908 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -91.09 -32.19 15.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.859 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -52.34 -49.19 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 72.44 110.837 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.7 mm -55.14 -26.03 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.42 111.166 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.61 -25.12 36.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 52.41 112.499 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mt -91.12 -18.13 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 74.41 111.111 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.57 0.38 22.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 52.21 110.856 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.52 155.44 1.84 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 73.15 110.873 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -46.76 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 73.43 112.363 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -52.66 -27.57 17.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.23 110.951 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.52 -44.4 62.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 71.13 110.876 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -61.41 -32.23 72.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 75.34 110.872 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -76.87 -33.47 57.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 75.24 110.885 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -81.49 -22.99 37.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.915 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.59 -22.26 22.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 72.41 110.962 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.11 -52.11 21.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 75.04 110.897 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.11 -24.24 65.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 71.13 110.95 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.35 -35.57 23.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 63.43 111.088 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.67 -23.16 34.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 72.5 111.13 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 74.33 110.857 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.3 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.906 0.384 . . . . 75.32 110.932 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.05 -47.7 74.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 62.45 110.931 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.21 -47.5 55.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.68 -0.771 . . . . 74.21 112.526 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.82 -11.84 60.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 72.52 110.827 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -89.63 -43.33 10.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.42 110.898 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.1 t -56.57 -30.7 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 70.14 111.105 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.5 ptm -77.88 -32.86 52.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.916 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -71.75 -31.41 66.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 62.2 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -81.32 -27.91 34.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 75.51 110.938 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.55 -18.91 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 55.54 110.922 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -82.85 -29.33 29.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 72.14 110.852 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 pp -81.44 -24.71 36.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 75.4 110.898 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 -33.2 15.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.876 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -40.87 74.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 72.34 110.88 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.8 mm -54.57 -26.45 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 75.32 111.12 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.15 -22.65 37.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 73.4 112.487 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.6 mt -93.13 -11.27 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 73.53 111.09 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.8 -0.34 17.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.53 110.827 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.86 155.9 1.85 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.62 0.724 . . . . 74.52 110.862 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -46.36 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 74.34 112.381 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -53.28 -27.23 21.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.916 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.88 -49.23 63.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 74.12 110.847 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -24.53 59.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.873 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.52 -32.46 25.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 73.33 110.903 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -83.71 -21.89 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 73.55 110.913 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.86 -22.61 21.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.88 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.9 tp -72.74 -48.44 38.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 73.35 110.919 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -69.34 -24.78 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 75.31 110.963 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.84 -30.09 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.44 111.115 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.77 -23.53 29.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 53.13 111.099 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.884 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.843 0.354 . . . . 73.41 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.51 -31.6 62.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.913 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.12 -49.98 72.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 65.02 112.492 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -65.05 -15.34 62.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 71.25 110.848 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.33 -46.97 7.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.903 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.7 t -55.94 -29.46 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 72.41 111.168 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.3 ptm -79.05 -33.52 44.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.847 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.9 -33.4 68.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 72.41 110.884 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -78.48 -27.67 46.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 73.43 110.883 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -91.06 -18.2 24.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 75.22 110.934 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -83.93 -29.19 27.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.879 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 pp -86.42 -23.07 26.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.921 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.7 25.16 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 75.42 110.9 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -130.79 -48.04 1.04 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 62.1 110.879 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.0 mt -56.06 -26.15 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 74.35 111.074 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.47 -22.02 45.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.76 . . . . 52.43 112.477 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 mt -95.47 -12.37 8.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.845 0.355 . . . . 75.54 111.105 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.35 -0.06 17.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 73.5 110.821 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.61 155.87 1.74 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.592 0.71 . . . . 73.11 110.868 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -46.63 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 74.23 112.346 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -27.43 19.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 75.01 110.933 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.8 -37.33 51.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 75.54 110.832 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -65.22 -38.16 89.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 74.51 110.874 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -72.47 -31.68 65.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.915 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 -22.3 32.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.3 110.916 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 tp -88.96 -22.93 22.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 75.03 110.921 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.1 tp -72.45 -48.4 41.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.928 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -69.08 -24.95 64.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.923 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.74 -29.52 22.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 64.31 111.059 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.61 -21.77 32.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 70.34 111.135 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 71.13 110.874 -179.891 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.8 t80 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.881 0.372 . . . . 72.11 110.945 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.51 -35.06 73.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.94 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.13 -36.97 94.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 73.52 112.491 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.3 p -81.04 -34.79 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.363 . . . . 75.04 110.823 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -72.5 -39.72 67.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 70.34 110.908 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.33 -25.05 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 64.44 111.143 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.2 ttp -84.66 -35.1 22.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 72.42 110.874 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.15 -32.96 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.927 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.2 -34.59 49.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.893 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.51 -22.69 34.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 73.45 110.927 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -79.72 -26.05 40.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 71.51 110.877 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -84.46 -31.95 24.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.881 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.71 -27.71 31.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 61.34 110.87 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -64.2 -42.92 96.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.852 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.2 mt -55.27 -26.22 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 73.23 111.121 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.39 -25.82 41.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 72.53 112.489 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.7 mt -93.75 -13.18 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.854 0.359 . . . . 73.14 111.131 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.58 -0.19 18.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 63.2 110.91 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.62 155.88 1.74 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 73.1 110.913 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -46.4 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.699 2.266 . . . . 71.04 112.343 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -53.12 -27.5 21.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 72.52 110.882 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -36.03 45.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 65.22 110.838 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -65.25 -39.24 92.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.859 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -71.6 -31.81 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -83.31 -22.48 32.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 74.12 110.876 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tp -88.93 -22.89 22.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 73.53 110.956 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.88 -47.6 44.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.901 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -69.54 -25.01 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.873 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.91 -28.68 22.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.21 111.097 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.34 -23.51 28.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 72.53 111.127 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 74.53 110.84 -179.9 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.2 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.925 0.393 . . . . 73.42 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 tp -55.25 -36.06 65.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.933 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.78 -65.17 3.72 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 64.01 112.48 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -34.09 42.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 72.31 110.861 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.08 -52.53 40.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 74.43 110.909 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.6 t -51.29 -30.77 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 72.12 111.105 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.2 ttp -76.07 -34.8 59.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 74.55 110.854 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.62 -31.38 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.896 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.09 -30.98 39.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 73.23 110.913 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.07 -22.97 25.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 71.31 110.869 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -77.82 -31.18 51.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 53.52 110.799 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 pp -78.18 -17.67 56.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 74.43 110.911 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -104.21 -32.1 9.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 70.41 110.904 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -51.31 -36.1 41.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 75.53 110.855 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.7 mt -52.16 -26.78 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 75.13 111.151 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.9 -15.61 30.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 74.33 112.516 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.6 mt -100.92 2.77 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 75.31 111.157 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.75 0.92 8.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 55.54 110.868 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.18 155.11 1.76 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.61 0.719 . . . . 73.23 110.862 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 -24.17 29.67 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.241 . . . . 73.13 112.374 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -78.73 -2.07 37.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.9 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.45 -45.65 15.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.875 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -34.21 77.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 74.41 110.866 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.12 -24.37 43.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.53 110.868 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -89.88 -21.49 22.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.938 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.2 tp -91.34 -22.17 20.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.925 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -57.3 6.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 72.33 110.931 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -67.0 -23.15 65.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.948 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.01 -30.34 31.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 73.41 111.076 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.37 -23.45 22.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.087 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 74.55 110.871 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.915 0.388 . . . . 74.44 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -57.89 -31.43 66.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 71.44 110.862 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.36 -36.97 79.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 71.31 112.482 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -83.79 -18.69 36.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 74.4 110.879 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -90.95 -36.78 13.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 73.42 110.906 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 p -61.52 -28.54 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 53.1 111.092 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -74.84 -34.39 62.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.861 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.4 -43.73 76.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.428 . . . . 75.43 110.906 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -69.38 -27.34 65.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 74.23 110.881 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -37.17 46.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 75.53 110.908 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.91 -19.19 57.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 73.5 110.89 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tp -87.28 -24.19 24.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.891 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -29.34 18.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 73.35 110.868 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.9 -36.93 85.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.03 110.887 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.0 mt -54.77 -26.17 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.121 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.09 -20.7 32.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 64.32 112.485 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.4 mt -91.87 -16.42 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 71.35 111.115 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.12 0.1 21.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 75.44 110.902 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.77 155.55 1.92 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 63.22 110.913 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -46.52 1.19 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.68 2.254 . . . . 64.31 112.359 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -52.86 -27.23 17.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 73.32 110.953 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.8 -38.84 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 65.15 110.872 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -32.35 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.865 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.75 -33.49 58.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 64.34 110.897 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -81.3 -23.11 38.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.895 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 tp -89.69 -22.17 22.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 74.44 110.877 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -51.88 21.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.882 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.22 -24.29 64.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 75.24 110.896 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.48 -37.55 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 71.2 111.082 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.35 -23.13 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 75.4 111.103 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.896 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.893 0.378 . . . . 75.13 110.9 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.4 tp -74.12 -54.18 8.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 74.3 110.938 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.81 -42.03 52.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 62.42 112.472 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.9 m -68.35 -35.25 77.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 71.32 110.866 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -68.28 -51.66 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.882 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.2 t -51.77 -29.55 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 74.2 111.132 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.7 ttt -74.1 -40.94 62.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 74.33 110.886 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.45 -41.32 98.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 72.52 110.84 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -69.36 -36.09 76.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.879 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -31.74 60.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 64.1 110.937 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -78.87 -25.24 43.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 73.14 110.871 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -84.39 -23.35 30.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 65.43 110.884 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -93.08 -32.38 14.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.857 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -51.97 -51.24 58.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 70.41 110.849 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.7 mt -54.88 -26.17 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 75.3 111.133 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.09 -26.81 39.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 72.33 112.466 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.6 mt -92.37 -14.63 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 74.42 111.169 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.73 0.06 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.879 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.46 155.67 1.74 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.599 0.714 . . . . 74.44 110.855 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -46.62 1.15 Allowed 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.696 2.264 . . . . 74.41 112.308 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -52.87 -27.47 18.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 53.05 110.945 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.6 -42.48 61.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.88 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -35.41 80.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.868 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -32.53 62.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.857 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -22.62 34.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.919 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.28 -22.55 22.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 73.5 110.932 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.4 tp -72.91 -48.0 40.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.919 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -24.86 63.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.907 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.48 -30.55 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 74.44 111.074 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.04 -23.39 30.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 72.42 111.101 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.32 110.863 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.4 t80 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.898 0.38 . . . . 61.14 110.835 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.91 -41.27 61.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 73.14 110.94 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.05 -66.54 2.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 62.14 112.516 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -33.18 39.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 74.02 110.852 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.99 -52.9 45.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 75.33 110.873 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.92 -30.55 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 75.23 111.123 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.5 ttm -77.88 -36.36 49.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 75.54 110.87 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.14 -25.67 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 74.51 110.868 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.02 -33.41 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 74.24 110.876 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.34 -23.04 26.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.927 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -76.93 -31.21 56.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.13 110.86 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.57 -24.84 49.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 73.12 110.883 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -95.13 -32.24 13.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 62.42 110.843 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.99 -36.4 62.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.853 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.3 mm -54.69 -26.27 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 71.21 111.145 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.16 -19.13 31.56 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.714 -0.755 . . . . 53.23 112.508 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.0 mt -96.32 -4.7 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.351 . . . . 70.04 111.076 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.06 -0.3 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 61.45 110.874 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.57 157.1 1.34 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 63.3 110.91 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.94 1.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.718 2.279 . . . . 74.24 112.381 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -54.59 -25.91 29.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.9 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.61 -27.49 39.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 72.54 110.856 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -74.28 -31.86 62.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.839 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -77.52 -29.0 52.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.834 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.1 -22.29 25.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 75.21 110.86 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 tp -86.03 -25.2 26.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.872 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -70.74 -48.17 55.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 75.33 110.909 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -67.86 -25.84 65.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 73.23 110.912 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.56 -29.85 22.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 71.35 111.061 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.49 -23.46 32.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.31 111.116 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 71.41 110.845 -179.901 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.8 t80 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.874 0.368 . . . . 74.35 110.851 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.55 -44.99 73.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 63.13 110.886 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.63 -64.75 3.82 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 75.41 112.488 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.15 -30.26 25.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 74.34 110.861 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -51.87 23.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 71.34 110.876 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.9 t -56.49 -26.06 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.125 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.6 ttp -84.57 -38.53 19.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.22 110.872 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.24 -27.89 64.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 71.13 110.895 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -80.95 -33.84 33.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.12 110.881 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.11 -25.45 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 71.03 110.941 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -76.89 -24.3 52.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 73.2 110.864 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -80.81 -24.07 38.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.905 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.71 -30.49 15.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.13 110.9 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.71 -34.59 74.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.872 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.3 mt -54.9 -26.21 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 72.24 111.134 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.97 -20.76 32.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 75.43 112.52 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.0 mt -96.34 -5.43 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 72.43 111.142 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.77 1.06 12.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.832 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.66 159.87 0.51 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.611 0.719 . . . . 74.33 110.891 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -44.37 2.15 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.736 2.291 . . . . 71.33 112.328 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -22.31 20.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.891 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -66.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 72.44 110.895 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -19.97 44.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 64.5 110.875 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -84.59 -33.97 23.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.872 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.56 -18.2 28.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.885 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 tp -94.51 -21.16 19.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.4 110.912 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 tt -76.63 -43.16 39.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.947 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -73.2 -24.34 60.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 73.04 110.899 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.31 -28.21 21.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.44 111.07 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.24 -23.16 32.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 70.32 111.124 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 75.0 110.893 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.6 t80 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.943 0.401 . . . . 70.02 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.75 -36.75 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 74.23 110.888 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.42 -60.0 9.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 74.21 112.512 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.9 m -53.18 -29.03 29.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.939 0.4 . . . . 74.12 110.899 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.12 -45.18 27.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 74.11 110.856 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.2 t -62.4 -23.67 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 75.22 111.152 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.1 ttm -82.97 -39.44 21.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.885 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.4 -30.93 70.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.885 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -78.58 -35.12 46.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.88 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.72 -16.83 40.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 73.23 110.921 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -89.26 -21.06 23.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 51.32 110.846 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.75 -24.04 17.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.931 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.5 ptt85 -92.36 -31.27 15.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.51 110.879 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.74 -34.22 77.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 74.21 110.867 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.7 mt -64.87 -25.49 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.155 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.65 3.06 45.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 73.23 112.452 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.1 mt -117.76 -21.43 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 75.44 111.14 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.78 1.47 22.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.876 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.5 155.86 1.69 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.7 . . . . 74.04 110.887 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -46.42 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.713 2.275 . . . . 73.13 112.328 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -53.39 -26.48 19.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.54 110.897 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -53.58 -28.24 30.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 73.1 110.844 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -56.38 20.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 72.01 110.867 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.3 ptt85 -63.94 -21.64 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 73.42 110.853 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -85.11 -26.82 26.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.862 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.89 -19.21 21.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 70.41 110.924 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -84.94 -28.42 25.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 62.04 110.896 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -84.82 -22.94 29.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.23 110.933 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -93.24 -27.83 16.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.41 111.136 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.08 -22.89 38.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.41 111.106 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.859 -179.909 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.1 t80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.931 0.396 . . . . 73.31 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 mt -67.57 -34.1 76.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 75.33 110.898 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.98 -39.97 97.79 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 70.25 112.489 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.06 -34.92 57.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 73.35 110.846 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -72.19 -49.56 34.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 64.22 110.862 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.5 p -53.72 -27.5 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.51 111.142 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.6 ttp -74.67 -38.75 62.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.856 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -69.8 -29.39 66.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.91 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.46 -31.68 42.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.845 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.04 -19.06 27.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.03 110.939 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -86.18 -27.27 24.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 72.05 110.857 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.04 -22.13 29.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.896 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -93.1 -32.8 14.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 75.25 110.901 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -61.69 -33.07 73.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 73.54 110.844 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.4 mt -54.84 -26.06 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.41 111.152 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.22 7.97 24.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 23.34 112.483 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.9 mt -116.93 -19.98 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.811 0.338 . . . . 75.22 111.114 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.43 0.51 22.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 72.55 110.885 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.99 155.44 2.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.705 . . . . 55.4 110.896 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -46.67 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 72.5 112.298 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -52.77 -27.29 17.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.91 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.83 -38.97 57.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.837 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -32.33 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 74.54 110.893 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -76.77 -33.5 58.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 74.24 110.897 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -23.07 37.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.86 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -22.17 22.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 75.31 110.926 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -78.24 -37.56 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.877 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -75.69 -24.98 56.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 75.03 110.902 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.84 -47.65 9.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 73.24 111.156 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.91 -23.17 66.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 64.12 111.091 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 65.52 110.907 -179.951 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.88 0.371 . . . . 74.44 110.873 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.88 -48.1 80.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 71.55 110.904 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.76 -59.31 10.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.801 -0.714 . . . . 74.23 112.45 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.3 t -53.38 -34.21 56.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 74.24 110.845 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -67.4 -45.73 75.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 75.33 110.852 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.64 -24.0 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.32 111.141 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.7 ttp -87.31 -36.41 17.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 74.34 110.86 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.31 -27.18 62.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 75.24 110.898 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -82.28 -33.0 29.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 71.33 110.927 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.59 -19.81 28.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.03 110.914 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -80.85 -28.04 36.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 73.32 110.903 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.06 -25.85 31.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 75.52 110.889 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.23 -30.48 16.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.871 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -58.53 -40.01 81.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.893 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.6 mm -54.79 -26.26 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 74.12 111.153 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.85 -23.44 35.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.705 -0.759 . . . . 70.52 112.481 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.8 mt -94.58 -8.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 73.41 111.069 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.16 1.1 14.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 70.54 110.833 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.89 159.48 0.56 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.644 0.735 . . . . 75.42 110.871 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -44.57 2.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 75.33 112.401 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.89 -22.77 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.896 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -66.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 75.4 110.814 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -58.1 -20.48 40.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 75.22 110.854 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -83.81 -34.33 24.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.43 110.883 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -88.31 -18.3 28.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.882 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.92 -21.49 19.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 75.01 110.921 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.49 -38.56 40.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 74.42 110.945 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -75.73 -24.52 56.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.22 110.898 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.72 -28.25 19.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.42 111.128 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.78 -22.8 36.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 74.5 111.138 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 70.15 110.887 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.85 0.357 . . . . 75.13 110.868 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -35.1 75.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 73.32 110.917 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.99 -40.26 97.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 55.25 112.524 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -77.04 -30.92 55.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 73.25 110.872 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.85 -40.93 46.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 71.22 110.876 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.88 -23.86 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 75.33 111.118 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.5 ttt -87.72 -35.22 18.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 75.31 110.877 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.93 -28.88 63.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 74.21 110.912 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -81.87 -31.64 31.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 73.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -20.5 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.934 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -79.94 -30.49 39.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 61.53 110.847 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 pp -80.79 -25.12 38.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.02 110.912 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.21 -34.14 13.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 74.23 110.883 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.415 ' HA ' HG12 ' A' ' 30' ' ' ILE . 2.5 t0 -52.36 -40.37 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.888 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.2 mt -56.74 -25.85 22.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 72.51 111.098 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.28 -5.59 72.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 70.5 112.507 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.415 HG12 ' HA ' ' A' ' 27' ' ' ASP . 1.4 mm -99.41 -33.41 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 73.55 111.071 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.08 2.06 39.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 72.43 110.862 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.27 152.17 3.23 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.644 0.735 . . . . 74.43 110.837 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -44.58 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.635 2.223 . . . . 72.11 112.349 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -52.7 -25.4 10.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.91 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -52.93 -27.68 19.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 73.13 110.88 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -57.19 13.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.831 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -18.73 64.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.864 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -88.44 -26.01 22.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.1 110.89 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.98 -18.51 21.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.33 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -77.81 -45.41 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 72.01 110.948 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -74.34 -22.69 59.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.894 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.54 -27.31 22.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 62.25 111.085 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.68 -23.12 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 72.4 111.072 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 mtm-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.872 -179.924 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.6 t80 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.897 0.38 . . . . 54.34 110.89 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.8 -34.44 69.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 63.24 110.92 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.41 -63.59 4.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 74.22 112.448 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.1 -30.6 37.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 73.34 110.85 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -51.86 24.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 72.34 110.888 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.7 t -56.24 -26.29 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 73.3 111.126 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.1 ttp -84.37 -38.39 20.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 73.34 110.888 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.76 -27.56 64.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 75.14 110.881 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -81.2 -33.05 33.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.468 . . . . 71.05 110.907 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.69 -28.28 24.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 73.33 110.907 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -73.13 -28.59 62.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 65.32 110.852 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.26 -21.27 53.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.903 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.0 ptt85 -100.73 -29.1 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.905 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' HA ' HG12 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -51.71 -41.45 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.51 110.846 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.4 mm -56.83 -24.84 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 74.23 111.118 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.95 -4.46 69.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 52.42 112.515 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.407 HG12 ' HA ' ' A' ' 27' ' ' ASP . 1.2 mm -101.26 -32.41 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 65.22 111.135 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.24 1.68 39.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.14 110.875 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.52 151.89 3.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.529 0.68 . . . . 74.44 110.923 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -44.76 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.66 2.24 . . . . 74.02 112.388 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -52.46 -26.66 13.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 73.35 110.909 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -50.59 -47.76 57.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.859 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -61.48 -30.47 70.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 75.14 110.899 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -78.43 -33.19 48.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 74.25 110.882 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -82.15 -22.65 36.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 75.42 110.883 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.59 -22.38 22.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 73.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 tp -80.64 -31.5 36.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 74.0 110.927 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -79.99 -24.7 40.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.932 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.71 -31.98 15.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 74.02 111.06 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.04 -21.88 56.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 70.44 111.117 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.858 -179.881 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 65.13 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -141.68 153.11 44.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.944 0.402 . . . . 63.11 110.83 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -53.79 52.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 72.33 110.882 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 50.21 38.85 18.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 75.31 110.905 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tt -82.07 -31.46 30.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.93 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.58 -41.12 96.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 75.22 110.953 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -56.87 -27.19 60.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 62.24 110.912 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.49 -38.28 5.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 65.24 112.483 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -26.57 67.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.371 . . . . 64.41 110.898 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -52.21 -54.0 36.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 75.01 110.876 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -56.27 -26.36 51.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 75.31 110.872 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.8 t -81.77 -42.2 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.32 111.157 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.83 -25.83 43.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.863 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -87.45 -41.01 13.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 62.43 110.882 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mt -51.96 -37.36 52.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.967 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.28 -65.24 3.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 71.52 112.487 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -31.31 29.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 72.31 110.858 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -52.38 28.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 71.15 110.873 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.2 t -54.96 -27.01 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 72.41 111.1 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.4 ttp -82.94 -37.61 23.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.876 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.17 -30.38 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 71.03 110.915 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -79.15 -35.2 42.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.866 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.35 -23.46 32.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 74.23 110.96 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -78.87 -26.43 43.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 71.52 110.877 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -84.98 -26.04 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.889 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.1 -27.14 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.55 110.832 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.98 -35.9 82.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 64.34 110.848 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.9 mt -56.44 -26.19 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 75.23 111.181 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.0 -23.42 35.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 75.43 112.462 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 21.9 mt -94.74 -9.02 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 75.2 111.137 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.21 -0.53 15.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 62.03 110.845 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.83 156.2 1.73 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.578 0.704 . . . . 74.14 110.883 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -46.41 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.259 . . . . 63.42 112.348 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -53.33 -27.53 23.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 64.53 110.946 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.73 -36.02 45.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.882 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -39.42 92.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 75.21 110.877 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -71.55 -31.74 67.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.866 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -83.38 -22.42 32.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.878 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.99 -22.82 22.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.981 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.94 -49.55 36.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.906 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -68.74 -24.77 64.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 73.41 110.916 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.84 -29.34 23.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 53.42 111.126 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.26 -23.53 26.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 73.21 111.115 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -68.59 -35.05 76.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 64.21 110.893 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 63.14 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.29 170.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.954 0.407 . . . . 75.41 110.864 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.12 8.57 10.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 65.14 110.936 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.04 26.23 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 74.51 110.937 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.99 26.23 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 75.44 110.909 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.65 -55.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 74.33 110.907 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.65 -27.7 66.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 72.53 110.889 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.06 -25.52 21.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 71.33 112.44 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -83.24 -26.71 30.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.863 0.363 . . . . 73.34 110.88 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -52.12 -48.94 64.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 61.3 110.85 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -26.3 66.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 61.43 110.86 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 51.2 t -81.72 -42.55 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 75.34 111.134 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.52 -26.13 41.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.876 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -86.62 -30.61 21.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 63.12 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mt -55.02 -36.91 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 74.2 110.9 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.21 -64.69 3.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.706 -0.759 . . . . 72.43 112.53 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.12 -30.23 25.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 74.22 110.875 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -51.91 23.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 71.34 110.892 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.3 t -56.54 -26.04 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 64.44 111.13 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.7 ttp -84.7 -38.59 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.03 110.906 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -70.43 -27.35 64.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.903 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -81.49 -33.71 31.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 73.44 110.87 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.74 -24.68 26.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 72.43 110.93 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.58 -30.78 57.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 73.4 110.866 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.74 -22.68 53.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 75.44 110.918 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -97.31 -32.23 12.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.877 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -52.54 -37.81 58.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.873 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.4 mt -54.93 -26.11 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 73.01 111.129 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.57 -16.24 29.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.701 -0.761 . . . . 72.33 112.492 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.8 mt -93.35 -16.13 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 72.43 111.144 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.22 0.02 21.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 71.12 110.832 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.69 155.61 1.87 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.729 . . . . 74.24 110.885 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -46.58 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.277 . . . . 72.54 112.364 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -52.88 -27.58 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 72.04 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.47 -40.11 58.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 73.53 110.855 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -36.94 85.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 72.55 110.855 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.33 -32.31 64.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 63.34 110.906 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -22.61 34.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.45 110.859 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 tp -89.19 -22.63 22.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.904 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.78 -48.22 40.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.916 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.34 -24.84 63.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.938 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.23 -29.36 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.31 111.061 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.7 -23.45 27.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 73.15 111.098 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.58 -35.11 76.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.896 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 72.33 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 74.4 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -102.21 -179.34 3.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.964 0.412 . . . . 70.32 110.867 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -31.19 66.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.942 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -32.2 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.941 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -31.92 66.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 75.35 110.891 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tp -61.17 -42.81 99.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.919 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.46 -26.41 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 72.03 110.869 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.39 -40.3 10.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 72.34 112.461 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.79 -27.31 68.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 74.04 110.881 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -52.0 -49.84 62.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 74.02 110.863 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -59.86 -26.35 65.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.849 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.7 t -81.36 -42.59 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 75.41 111.129 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.56 -26.08 41.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 74.02 110.861 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -88.25 -30.09 19.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 73.55 110.863 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.4 mt -56.27 -39.82 73.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 72.33 110.95 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.46 -65.34 3.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 64.51 112.478 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.6 m -52.05 -31.19 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 72.44 110.882 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.34 -52.39 27.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 72.22 110.921 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.7 t -54.81 -27.09 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 55.24 111.166 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.1 ttt -82.78 -38.05 23.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.912 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.86 -31.15 69.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 74.02 110.937 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.02 -35.07 50.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 73.22 110.909 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.62 -26.46 32.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 72.14 110.912 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -78.0 -29.2 49.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.83 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.4 mt -80.61 -20.84 42.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 74.32 110.909 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -98.86 -32.64 11.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 75.31 110.873 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.59 -29.99 64.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 63.24 110.925 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.1 mt -54.64 -26.34 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 74.44 111.14 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.34 7.9 24.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 63.54 112.49 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.0 mt -116.9 -18.23 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 71.43 111.139 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.78 0.36 22.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 75.32 110.901 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.84 155.53 1.96 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.629 0.728 . . . . 74.34 110.84 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -46.66 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.266 . . . . 75.44 112.331 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -52.77 -27.64 18.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 75.51 110.853 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -45.42 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.88 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -30.52 70.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.847 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.32 -33.3 49.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.878 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -82.09 -22.61 36.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 74.22 110.895 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -22.37 22.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 74.41 110.901 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -47.95 39.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 75.24 110.923 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -24.74 63.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.951 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.6 -28.86 23.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 72.2 111.104 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.9 -23.4 27.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 74.21 111.095 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -68.58 -35.14 76.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.13 110.903 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 63.43 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 72.52 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.68 171.42 19.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 64.01 110.87 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.2 ptpp? -53.61 -36.06 61.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.861 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mp -110.07 44.41 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 74.35 110.942 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -56.64 -26.88 57.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 60.13 110.872 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tt -113.23 -52.3 2.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 74.31 110.912 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -54.79 -27.3 40.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 72.14 110.883 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.85 -51.82 2.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.765 . . . . 74.21 112.498 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -55.59 -26.4 43.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.88 0.371 . . . . 73.4 110.907 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -52.09 -53.13 46.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.856 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.91 -28.54 62.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 75.55 110.897 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.9 t -78.85 -42.16 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.24 111.158 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -25.63 50.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 72.43 110.883 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -86.31 -36.2 19.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 73.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mt -52.56 -38.98 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 74.35 110.901 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.29 -65.6 3.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 65.33 112.51 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.1 t -51.98 -31.58 29.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 72.51 110.866 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.76 -52.52 29.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 64.42 110.89 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.4 t -54.27 -27.38 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.151 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.2 ttm -82.46 -37.64 25.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 73.23 110.893 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.98 -30.67 69.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 72.11 110.891 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -78.88 -35.27 43.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 73.21 110.923 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.14 -23.4 32.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 73.23 110.917 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.36 -26.23 42.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.874 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -84.95 -28.56 25.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 75.34 110.926 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.02 -29.85 20.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 71.25 110.832 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -58.42 -44.8 89.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 75.34 110.82 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.6 mm -56.35 -26.0 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 74.21 111.153 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.57 -24.58 45.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.772 -0.728 . . . . 51.14 112.471 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.8 mt -95.4 -13.08 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 74.51 111.116 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.7 -0.24 18.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.903 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.63 155.89 1.75 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.578 0.704 . . . . 65.34 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -46.49 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 2.255 . . . . 73.21 112.369 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -53.1 -27.47 20.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.938 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.69 -33.74 35.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 73.51 110.829 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -41.11 94.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 75.42 110.891 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -70.09 -32.33 70.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.855 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.42 -22.83 35.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.885 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.0 tp -89.11 -22.61 22.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 72.31 110.94 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 tt -76.71 -39.97 50.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 72.13 110.939 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -25.05 59.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 72.35 110.943 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.97 -33.86 19.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 72.33 111.116 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.16 38.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 62.31 111.072 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -76.84 -26.15 53.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 73.01 110.849 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 53.33 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 71.15 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.85 -176.4 3.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.929 0.395 . . . . 74.24 110.863 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.63 -35.19 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 75.23 110.935 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.64 -27.7 66.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.918 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.92 -26.12 61.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 64.25 110.975 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -118.01 -65.04 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.916 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -57.77 -28.12 63.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 75.34 110.906 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.32 -31.33 16.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 62.32 112.481 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.74 -26.46 65.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.86 0.362 . . . . 75.43 110.865 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -52.32 -53.38 45.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.844 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -26.14 58.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 73.42 110.858 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.2 t -82.29 -40.37 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 73.32 111.14 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.93 -25.56 43.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.82 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -80.86 -44.68 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.848 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -34.26 69.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 74.14 110.972 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.77 -57.26 16.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 73.13 112.488 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.5 p -57.15 -31.57 65.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 72.24 110.863 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.28 -51.13 26.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 75.41 110.921 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.08 -23.94 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 64.43 111.16 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.9 ttm -87.33 -36.46 17.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.917 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -72.36 -27.3 62.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 74.44 110.883 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -81.92 -33.43 30.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 65.54 110.912 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.73 -22.28 27.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.898 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -78.37 -28.21 47.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 64.33 110.881 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.2 -24.85 34.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 73.44 110.907 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -25.74 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.855 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.73 -28.69 67.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 71.04 110.848 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.8 mt -56.27 -26.29 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 75.34 111.088 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.86 2.57 58.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 53.12 112.489 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.3 mt -121.15 -7.33 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 63.1 111.147 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.04 -0.25 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 74.54 110.868 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.79 156.53 1.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.608 0.718 . . . . 73.51 110.875 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -45.72 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 72.42 112.335 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -54.5 -25.51 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.02 110.898 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -29.0 49.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 71.24 110.859 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -55.98 24.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 65.12 110.915 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.0 ptt180 -64.51 -20.24 66.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 75.45 110.82 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.84 -26.3 24.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 73.51 110.879 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 tp -94.55 -18.81 21.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 75.15 110.934 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mt -79.95 -40.37 28.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 70.3 110.903 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -76.71 -23.22 53.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.896 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.21 -36.34 16.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.11 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.62 -33.02 62.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 43.23 111.105 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -26.44 66.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.849 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 45.13 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 72.01 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.49 -27.83 11.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.952 0.406 . . . . 70.22 110.878 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -30.23 28.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 63.41 110.942 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.75 36.94 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 65.03 110.939 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 pp -58.09 -28.64 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.896 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mp -72.96 -37.02 67.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 75.25 110.895 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -65.75 -27.57 68.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.87 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.2 -44.02 7.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 71.33 112.45 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -74.46 -27.1 60.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 74.2 110.866 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -52.03 -52.69 49.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.864 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.22 -27.46 62.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 62.01 110.9 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -79.94 -42.57 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 73.12 111.153 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -26.09 41.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 70.22 110.868 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -89.71 -32.7 16.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 71.42 110.858 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.53 -47.23 76.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.898 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.02 -47.59 59.84 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 65.04 112.466 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.4 m -68.96 -12.78 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.906 0.384 . . . . 72.43 110.833 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.79 -47.8 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.55 110.856 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.6 t -55.37 -29.47 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 74.21 111.131 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.1 ptm -79.03 -33.94 44.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.904 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.95 -34.7 71.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.93 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -77.64 -27.36 51.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 72.35 110.92 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.3 -29.68 30.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 73.52 110.922 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -77.48 -25.77 50.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.87 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.01 -25.69 34.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 73.21 110.938 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -90.56 -32.12 16.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 70.13 110.914 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -53.16 -48.88 67.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.827 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.8 mm -55.14 -26.04 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.1 111.145 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.56 -26.45 38.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 75.02 112.467 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.0 mt -93.25 -12.66 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 74.23 111.122 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.12 -0.09 18.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.14 110.832 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.6 155.83 1.75 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.646 0.736 . . . . 74.41 110.855 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -46.64 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 73.12 112.357 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -52.99 -27.49 19.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 74.3 110.909 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -42.48 62.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 72.43 110.847 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -35.5 80.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.51 110.893 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -74.43 -32.74 62.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 75.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.39 -22.63 35.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.893 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 tp -89.4 -22.53 22.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 73.4 110.863 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.3 tp -73.12 -47.67 42.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.907 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -69.79 -24.81 63.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 73.01 110.92 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.88 -28.61 22.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 72.4 111.091 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.94 -23.48 26.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 73.31 111.108 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -68.61 -35.02 76.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 75.22 110.874 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 62.02 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 . . . . . . . . 72.04 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.7 -28.39 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.962 0.411 . . . . 72.15 110.891 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.98 -40.96 67.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 73.15 110.956 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.86 -31.93 70.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 74.51 110.904 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.98 -37.84 33.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.909 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.3 mp -57.65 -41.0 80.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 65.15 110.911 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -67.07 -27.18 67.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.876 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.42 -36.35 12.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 64.43 112.472 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -26.45 65.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 75.43 110.862 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -52.09 -47.55 65.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 75.23 110.878 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -62.19 -30.76 71.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 71.12 110.881 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.5 t -76.51 -42.97 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 75.31 111.15 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -25.78 43.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 72.43 110.841 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -86.35 -34.73 20.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 72.34 110.857 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -47.73 79.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 72.14 110.929 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.62 -45.28 68.3 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 70.43 112.509 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -13.47 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 74.53 110.825 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.72 -47.46 7.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 72.03 110.923 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.7 t -55.76 -29.37 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 72.32 111.164 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -79.11 -33.95 43.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 75.15 110.865 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.95 -34.65 71.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.412 . . . . 73.35 110.886 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -77.73 -27.44 50.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.926 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.37 -29.47 30.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 73.54 110.891 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -77.24 -25.76 51.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 71.32 110.865 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -82.83 -25.88 32.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 73.04 110.908 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -91.09 -32.19 15.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.859 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -52.34 -49.19 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 72.44 110.837 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.7 mm -55.14 -26.03 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.42 111.166 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.61 -25.12 36.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 52.41 112.499 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mt -91.12 -18.13 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 74.41 111.111 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.57 0.38 22.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 52.21 110.856 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.52 155.44 1.84 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 73.15 110.873 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -46.76 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 73.43 112.363 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -52.66 -27.57 17.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.23 110.951 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.52 -44.4 62.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 71.13 110.876 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -61.41 -32.23 72.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 75.34 110.872 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -76.87 -33.47 57.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 75.24 110.885 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -81.49 -22.99 37.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.915 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.59 -22.26 22.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 72.41 110.962 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.11 -52.11 21.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 75.04 110.897 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.11 -24.24 65.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 71.13 110.95 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.35 -35.57 23.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 63.43 111.088 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.67 -23.16 34.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 72.5 111.13 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.83 -26.09 53.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 74.33 110.857 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 70.22 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 53.42 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.62 -174.67 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.383 . . . . 73.1 110.902 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -82.56 -31.18 29.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.888 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 pp -77.21 -34.49 56.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 70.33 110.904 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.36 -27.23 65.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.929 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.38 -45.94 68.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 75.44 110.914 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.36 -28.24 41.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 73.44 110.903 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.38 -35.7 5.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.762 . . . . 62.23 112.452 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -71.63 -16.52 62.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 75.34 110.906 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -80.59 -24.31 39.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 73.14 110.829 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.63 -32.28 16.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 74.44 110.885 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 p -74.89 -26.93 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.106 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.49 -24.71 65.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 74.5 110.841 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -79.76 -35.32 38.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.932 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.05 -47.7 74.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 62.45 110.931 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.21 -47.5 55.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.68 -0.771 . . . . 74.21 112.526 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.82 -11.84 60.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 72.52 110.827 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -89.63 -43.33 10.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.42 110.898 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.1 t -56.57 -30.7 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 70.14 111.105 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.5 ptm -77.88 -32.86 52.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.916 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -71.75 -31.41 66.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 62.2 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -81.32 -27.91 34.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 75.51 110.938 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.55 -18.91 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 55.54 110.922 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -82.85 -29.33 29.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 72.14 110.852 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 pp -81.44 -24.71 36.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 75.4 110.898 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 -33.2 15.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.876 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -40.87 74.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 72.34 110.88 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.8 mm -54.57 -26.45 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 75.32 111.12 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.15 -22.65 37.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 73.4 112.487 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.6 mt -93.13 -11.27 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 73.53 111.09 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.8 -0.34 17.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.53 110.827 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.86 155.9 1.85 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.62 0.724 . . . . 74.52 110.862 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -46.36 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 74.34 112.381 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -53.28 -27.23 21.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.916 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.88 -49.23 63.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 74.12 110.847 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -24.53 59.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.873 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.52 -32.46 25.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 73.33 110.903 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -83.71 -21.89 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 73.55 110.913 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.86 -22.61 21.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.88 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.9 tp -72.74 -48.44 38.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 73.35 110.919 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -69.34 -24.78 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 75.31 110.963 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.84 -30.09 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.44 111.115 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.77 -23.53 29.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 53.13 111.099 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.58 -35.07 76.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.884 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 73.53 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 62.03 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.37 170.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.983 0.42 . . . . 71.34 110.825 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -51.88 -46.11 64.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 75.03 110.916 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp 50.14 36.76 12.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 61.3 110.957 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.92 -30.48 9.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 74.11 110.91 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.9 -32.45 74.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.91 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -74.85 -28.0 60.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 75.23 110.878 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.57 -33.87 26.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 75.14 112.466 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -26.39 63.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.377 . . . . 75.24 110.922 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -51.99 -56.62 13.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 73.22 110.859 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.25 -27.88 37.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.894 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.9 t -79.6 -41.66 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.094 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -26.1 40.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 74.41 110.878 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -81.74 -43.94 17.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 73.41 110.849 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.51 -31.6 62.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.913 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.12 -49.98 72.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 65.02 112.492 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -65.05 -15.34 62.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 71.25 110.848 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.33 -46.97 7.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.903 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.7 t -55.94 -29.46 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 72.41 111.168 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.3 ptm -79.05 -33.52 44.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.847 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.9 -33.4 68.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 72.41 110.884 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -78.48 -27.67 46.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 73.43 110.883 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -91.06 -18.2 24.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 75.22 110.934 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -83.93 -29.19 27.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.879 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 pp -86.42 -23.07 26.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.921 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.7 25.16 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 75.42 110.9 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -130.79 -48.04 1.04 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 62.1 110.879 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.0 mt -56.06 -26.15 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 74.35 111.074 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.47 -22.02 45.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.76 . . . . 52.43 112.477 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 mt -95.47 -12.37 8.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.845 0.355 . . . . 75.54 111.105 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.35 -0.06 17.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 73.5 110.821 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.61 155.87 1.74 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.592 0.71 . . . . 73.11 110.868 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -46.63 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 74.23 112.346 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -27.43 19.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 75.01 110.933 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.8 -37.33 51.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 75.54 110.832 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -65.22 -38.16 89.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 74.51 110.874 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -72.47 -31.68 65.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.915 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 -22.3 32.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.3 110.916 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 tp -88.96 -22.93 22.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 75.03 110.921 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.1 tp -72.45 -48.4 41.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.928 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -69.08 -24.95 64.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.923 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.74 -29.52 22.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 64.31 111.059 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.61 -21.77 32.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 70.34 111.135 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -67.26 -36.65 82.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 71.13 110.874 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 34.41 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 . . . . . . . . 75.13 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.15 176.66 11.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.399 . . . . 72.2 110.847 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.02 8.51 32.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.505 . . . . 75.53 110.893 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.04 -37.48 13.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 75.54 110.939 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.12 -38.87 80.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.886 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -50.23 73.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.932 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.29 -27.28 68.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 73.12 110.925 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.6 -29.23 49.25 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.732 . . . . 54.41 112.523 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.28 -26.39 23.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.362 . . . . 53.54 110.885 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -52.09 -51.3 58.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 63.22 110.897 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -58.1 -26.13 62.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 72.43 110.87 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.1 t -82.62 -43.15 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 75.24 111.14 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -25.74 43.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 63.24 110.852 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -87.37 -41.24 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 72.11 110.945 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.51 -35.06 73.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.94 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.13 -36.97 94.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 73.52 112.491 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.3 p -81.04 -34.79 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.363 . . . . 75.04 110.823 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -72.5 -39.72 67.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 70.34 110.908 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.33 -25.05 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 64.44 111.143 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.2 ttp -84.66 -35.1 22.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 72.42 110.874 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.15 -32.96 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.927 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.2 -34.59 49.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.893 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.51 -22.69 34.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 73.45 110.927 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -79.72 -26.05 40.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 71.51 110.877 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -84.46 -31.95 24.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.881 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.71 -27.71 31.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 61.34 110.87 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -64.2 -42.92 96.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.852 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.2 mt -55.27 -26.22 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 73.23 111.121 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.39 -25.82 41.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 72.53 112.489 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.7 mt -93.75 -13.18 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.854 0.359 . . . . 73.14 111.131 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.58 -0.19 18.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 63.2 110.91 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.62 155.88 1.74 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 73.1 110.913 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -46.4 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.699 2.266 . . . . 71.04 112.343 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -53.12 -27.5 21.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 72.52 110.882 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -36.03 45.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 65.22 110.838 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -65.25 -39.24 92.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.859 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -71.6 -31.81 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -83.31 -22.48 32.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 74.12 110.876 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tp -88.93 -22.89 22.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 73.53 110.956 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.88 -47.6 44.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.901 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -69.54 -25.01 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.873 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.91 -28.68 22.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.21 111.097 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.34 -23.51 28.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 72.53 111.127 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -68.63 -35.05 76.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 74.53 110.84 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 43.55 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 54.22 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -113.51 -74.72 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.974 0.416 . . . . 71.13 110.852 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -34.61 62.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 71.45 110.91 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.16 -26.44 60.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 75.21 110.935 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.98 -26.7 38.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 75.21 110.935 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -43.36 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 75.03 110.939 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -55.96 -28.3 56.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.12 110.884 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -89.56 -37.62 6.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 70.12 112.514 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -68.29 -16.32 63.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 75.02 110.93 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -24.91 40.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 64.42 110.846 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.57 -33.49 16.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 75.5 110.831 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.43 -28.59 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 75.15 111.107 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -25.05 67.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 74.13 110.871 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -82.74 -37.63 24.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 73.42 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 tp -55.25 -36.06 65.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.933 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.78 -65.17 3.72 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 64.01 112.48 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -34.09 42.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 72.31 110.861 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.08 -52.53 40.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 74.43 110.909 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.6 t -51.29 -30.77 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 72.12 111.105 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.2 ttp -76.07 -34.8 59.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 74.55 110.854 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.62 -31.38 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.896 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.09 -30.98 39.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 73.23 110.913 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.07 -22.97 25.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 71.31 110.869 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -77.82 -31.18 51.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 53.52 110.799 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 pp -78.18 -17.67 56.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 74.43 110.911 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -104.21 -32.1 9.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 70.41 110.904 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -51.31 -36.1 41.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 75.53 110.855 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.7 mt -52.16 -26.78 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 75.13 111.151 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.9 -15.61 30.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 74.33 112.516 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.6 mt -100.92 2.77 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 75.31 111.157 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.75 0.92 8.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 55.54 110.868 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.18 155.11 1.76 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.61 0.719 . . . . 73.23 110.862 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 -24.17 29.67 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.241 . . . . 73.13 112.374 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -78.73 -2.07 37.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.9 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.45 -45.65 15.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.875 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -34.21 77.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 74.41 110.866 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.12 -24.37 43.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.53 110.868 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -89.88 -21.49 22.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.938 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.2 tp -91.34 -22.17 20.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.925 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -57.3 6.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 72.33 110.931 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -67.0 -23.15 65.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.948 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.01 -30.34 31.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 73.41 111.076 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.37 -23.45 22.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.087 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.55 -35.16 77.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 74.55 110.871 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 24.42 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 63.42 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.79 179.3 8.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.9 0.381 . . . . 75.54 110.905 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.21 8.57 41.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 75.21 110.884 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 tp -114.25 27.04 9.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 75.15 110.939 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -95.6 -31.05 13.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 64.43 110.906 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -55.03 14.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 74.44 110.908 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -57.21 -28.41 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.882 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.47 -22.23 41.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 75.21 112.441 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -81.5 -16.75 50.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.347 . . . . 74.02 110.882 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -80.59 -24.35 39.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 72.53 110.894 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.6 -32.18 16.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 74.11 110.856 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 p -75.01 -27.94 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 73.32 111.143 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.29 -25.63 67.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 74.01 110.835 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -87.25 -40.82 14.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.894 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -57.89 -31.43 66.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 71.44 110.862 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.36 -36.97 79.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 71.31 112.482 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -83.79 -18.69 36.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 74.4 110.879 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -90.95 -36.78 13.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 73.42 110.906 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 p -61.52 -28.54 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 53.1 111.092 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -74.84 -34.39 62.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.861 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.4 -43.73 76.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.428 . . . . 75.43 110.906 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -69.38 -27.34 65.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 74.23 110.881 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -37.17 46.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 75.53 110.908 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.91 -19.19 57.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 73.5 110.89 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tp -87.28 -24.19 24.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.891 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -29.34 18.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 73.35 110.868 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.9 -36.93 85.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.03 110.887 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.0 mt -54.77 -26.17 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.121 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.09 -20.7 32.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 64.32 112.485 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.4 mt -91.87 -16.42 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 71.35 111.115 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.12 0.1 21.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 75.44 110.902 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.77 155.55 1.92 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 63.22 110.913 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -46.52 1.19 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.68 2.254 . . . . 64.31 112.359 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -52.86 -27.23 17.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 73.32 110.953 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.8 -38.84 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 65.15 110.872 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -32.35 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.865 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.75 -33.49 58.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 64.34 110.897 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -81.3 -23.11 38.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.895 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 tp -89.69 -22.17 22.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 74.44 110.877 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -51.88 21.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.882 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.22 -24.29 64.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 75.24 110.896 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.48 -37.55 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 71.2 111.082 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.35 -23.13 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 75.4 111.103 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -26.25 54.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.896 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 61.05 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 72.24 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.4 m -133.01 166.95 21.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.939 0.4 . . . . 75.13 110.886 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -31.04 66.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 74.22 110.926 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.35 -32.95 74.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.1 110.917 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.86 -39.2 90.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.934 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.07 -30.65 71.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.921 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -73.48 -26.84 61.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.878 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.37 -38.06 9.29 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.696 -0.764 . . . . 71.21 112.448 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.3 -22.65 61.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.352 . . . . 74.44 110.862 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -56.78 -38.7 72.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 61.15 110.844 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.54 -3.68 44.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 75.11 110.844 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.5 t -108.55 -26.06 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.448 . . . . 72.3 111.092 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -14.35 59.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 73.24 110.827 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -91.53 -26.3 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 75.13 110.9 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.4 tp -74.12 -54.18 8.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 74.3 110.938 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.81 -42.03 52.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 62.42 112.472 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.9 m -68.35 -35.25 77.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 71.32 110.866 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -68.28 -51.66 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.882 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.2 t -51.77 -29.55 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 74.2 111.132 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.7 ttt -74.1 -40.94 62.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 74.33 110.886 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.45 -41.32 98.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 72.52 110.84 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -69.36 -36.09 76.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.879 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -31.74 60.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 64.1 110.937 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -78.87 -25.24 43.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 73.14 110.871 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -84.39 -23.35 30.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 65.43 110.884 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -93.08 -32.38 14.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.857 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -51.97 -51.24 58.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 70.41 110.849 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.7 mt -54.88 -26.17 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 75.3 111.133 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.09 -26.81 39.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 72.33 112.466 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.6 mt -92.37 -14.63 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 74.42 111.169 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.73 0.06 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.879 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.46 155.67 1.74 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.599 0.714 . . . . 74.44 110.855 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -46.62 1.15 Allowed 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.696 2.264 . . . . 74.41 112.308 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -52.87 -27.47 18.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 53.05 110.945 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.6 -42.48 61.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.88 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -35.41 80.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.868 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -32.53 62.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.857 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -22.62 34.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.919 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.28 -22.55 22.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 73.5 110.932 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.4 tp -72.91 -48.0 40.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.919 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -24.86 63.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.907 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.48 -30.55 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 74.44 111.074 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.04 -23.39 30.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 72.42 111.101 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.68 -35.06 76.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.32 110.863 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 63.43 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 75.21 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.53 174.32 14.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.973 0.416 . . . . 72.21 110.823 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.92 -35.23 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 75.35 110.865 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -96.84 34.23 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 63.23 110.872 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.74 -26.25 65.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 72.1 110.899 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pp -63.24 -28.3 69.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 75.23 110.929 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -82.42 -28.21 31.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 62.44 110.921 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.19 -29.46 25.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 73.53 112.451 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -75.2 -26.31 58.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.366 . . . . 73.31 110.899 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -50.18 61.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 73.43 110.912 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.0 -26.09 65.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.862 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -82.31 -39.33 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 63.2 111.114 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -25.73 43.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.841 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -84.95 -38.12 19.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 61.14 110.835 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.91 -41.27 61.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 73.14 110.94 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.05 -66.54 2.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 62.14 112.516 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -33.18 39.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 74.02 110.852 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.99 -52.9 45.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 75.33 110.873 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.8 t -50.92 -30.55 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 75.23 111.123 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.5 ttm -77.88 -36.36 49.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 75.54 110.87 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.14 -25.67 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 74.51 110.868 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.02 -33.41 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 74.24 110.876 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.34 -23.04 26.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.927 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -76.93 -31.21 56.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.13 110.86 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.57 -24.84 49.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 73.12 110.883 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -95.13 -32.24 13.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 62.42 110.843 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.99 -36.4 62.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.853 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.3 mm -54.69 -26.27 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 71.21 111.145 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.16 -19.13 31.56 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.714 -0.755 . . . . 53.23 112.508 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.0 mt -96.32 -4.7 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.351 . . . . 70.04 111.076 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.06 -0.3 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 61.45 110.874 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.57 157.1 1.34 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 63.3 110.91 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.94 1.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.718 2.279 . . . . 74.24 112.381 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -54.59 -25.91 29.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.9 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.61 -27.49 39.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 72.54 110.856 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -74.28 -31.86 62.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.839 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -77.52 -29.0 52.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.834 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.1 -22.29 25.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 75.21 110.86 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 tp -86.03 -25.2 26.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.872 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -70.74 -48.17 55.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 75.33 110.909 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -67.86 -25.84 65.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 73.23 110.912 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.56 -29.85 22.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 71.35 111.061 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.49 -23.46 32.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.31 111.116 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -68.6 -35.08 76.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 71.41 110.845 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 51.43 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 72.35 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 58.56 176.94 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.968 0.413 . . . . 75.4 110.874 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -51.87 -43.77 63.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 75.24 110.911 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 50.18 36.07 11.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.944 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.49 -37.47 8.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.1 110.897 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.63 -45.74 92.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 63.35 110.914 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -61.19 -28.37 69.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.9 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.63 -31.65 17.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.747 -0.739 . . . . 61.22 112.471 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -77.34 -16.27 58.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.901 0.381 . . . . 51.51 110.918 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.17 -25.22 39.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 73.22 110.851 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.17 -33.48 17.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 43.31 110.861 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.0 p -73.26 -28.59 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 62.24 111.066 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.01 -24.25 66.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 63.3 110.849 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -87.79 -34.13 18.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 74.35 110.851 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.55 -44.99 73.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 63.13 110.886 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.63 -64.75 3.82 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 75.41 112.488 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.15 -30.26 25.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 74.34 110.861 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -51.87 23.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 71.34 110.876 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.9 t -56.49 -26.06 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.125 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.6 ttp -84.57 -38.53 19.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.22 110.872 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.24 -27.89 64.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 71.13 110.895 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -80.95 -33.84 33.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.12 110.881 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.11 -25.45 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 71.03 110.941 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -76.89 -24.3 52.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 73.2 110.864 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -80.81 -24.07 38.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.905 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.71 -30.49 15.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.13 110.9 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.71 -34.59 74.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.872 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.3 mt -54.9 -26.21 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 72.24 111.134 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.97 -20.76 32.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 75.43 112.52 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.0 mt -96.34 -5.43 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 72.43 111.142 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.77 1.06 12.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.832 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.66 159.87 0.51 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.611 0.719 . . . . 74.33 110.891 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -44.37 2.15 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.736 2.291 . . . . 71.33 112.328 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -22.31 20.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.891 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -66.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 72.44 110.895 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -19.97 44.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 64.5 110.875 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -84.59 -33.97 23.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.872 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.56 -18.2 28.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.885 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 tp -94.51 -21.16 19.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.4 110.912 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 tt -76.63 -43.16 39.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.947 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -73.2 -24.34 60.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 73.04 110.899 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.31 -28.21 21.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.44 111.07 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.24 -23.16 32.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 70.32 111.124 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -66.91 -36.34 82.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 75.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 62.54 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 75.43 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.06 -173.83 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.949 0.404 . . . . 74.22 110.827 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.63 -28.58 33.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 71.43 110.908 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 43.25 34.28 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 73.22 110.901 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -28.05 63.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 73.52 110.936 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -80.24 -40.41 27.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.925 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -61.29 -28.18 69.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 74.3 110.894 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -89.51 -33.92 8.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 63.33 112.501 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -71.46 -16.32 62.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 74.04 110.871 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.14 -25.31 39.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 55.42 110.841 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.2 -33.42 17.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.878 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.0 p -73.24 -28.57 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 75.32 111.122 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.01 -24.28 66.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 65.43 110.843 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -87.76 -28.8 21.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 70.02 110.889 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.75 -36.75 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 74.23 110.888 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.42 -60.0 9.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 74.21 112.512 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.9 m -53.18 -29.03 29.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.939 0.4 . . . . 74.12 110.899 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.12 -45.18 27.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 74.11 110.856 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.2 t -62.4 -23.67 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 75.22 111.152 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.1 ttm -82.97 -39.44 21.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.885 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.4 -30.93 70.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.885 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -78.58 -35.12 46.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.88 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.72 -16.83 40.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 73.23 110.921 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -89.26 -21.06 23.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 51.32 110.846 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.75 -24.04 17.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.931 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.5 ptt85 -92.36 -31.27 15.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.51 110.879 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.74 -34.22 77.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 74.21 110.867 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.7 mt -64.87 -25.49 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.155 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.65 3.06 45.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 73.23 112.452 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.1 mt -117.76 -21.43 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 75.44 111.14 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.78 1.47 22.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.876 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.5 155.86 1.69 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.7 . . . . 74.04 110.887 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -46.42 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.713 2.275 . . . . 73.13 112.328 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -53.39 -26.48 19.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.54 110.897 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -53.58 -28.24 30.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 73.1 110.844 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -56.38 20.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 72.01 110.867 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.3 ptt85 -63.94 -21.64 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 73.42 110.853 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -85.11 -26.82 26.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.862 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.89 -19.21 21.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 70.41 110.924 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -84.94 -28.42 25.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 62.04 110.896 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -84.82 -22.94 29.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.23 110.933 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -93.24 -27.83 16.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.41 111.136 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.08 -22.89 38.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.41 111.106 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -66.93 -36.47 82.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.859 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 31.25 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 52.32 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.8 -28.98 15.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.893 0.377 . . . . 72.54 110.803 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -33.0 66.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 71.35 110.936 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 57.6 20.17 6.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.23 110.892 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp 46.08 33.04 1.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 73.02 110.891 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.78 -34.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.885 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -72.74 -32.69 65.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.876 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -99.54 -37.13 4.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 75.24 112.516 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -71.37 -9.47 58.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 75.32 110.901 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -76.41 -36.89 57.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.845 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.89 -43.86 34.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 72.22 110.877 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.62 -25.05 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 63.45 111.185 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -22.8 61.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 74.54 110.907 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -95.74 -27.21 15.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.926 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 mt -67.57 -34.1 76.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 75.33 110.898 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.98 -39.97 97.79 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 70.25 112.489 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.06 -34.92 57.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 73.35 110.846 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -72.19 -49.56 34.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 64.22 110.862 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.5 p -53.72 -27.5 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.51 111.142 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.6 ttp -74.67 -38.75 62.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.856 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -69.8 -29.39 66.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.91 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.46 -31.68 42.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.845 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.04 -19.06 27.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.03 110.939 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -86.18 -27.27 24.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 72.05 110.857 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.04 -22.13 29.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.896 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -93.1 -32.8 14.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 75.25 110.901 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -61.69 -33.07 73.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 73.54 110.844 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.4 mt -54.84 -26.06 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.41 111.152 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.22 7.97 24.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 23.34 112.483 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.9 mt -116.93 -19.98 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.811 0.338 . . . . 75.22 111.114 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.43 0.51 22.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 72.55 110.885 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.99 155.44 2.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.705 . . . . 55.4 110.896 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -46.67 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 72.5 112.298 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -52.77 -27.29 17.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.91 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.83 -38.97 57.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.837 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -32.33 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 74.54 110.893 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -76.77 -33.5 58.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 74.24 110.897 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -23.07 37.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.86 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -22.17 22.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 75.31 110.926 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -78.24 -37.56 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.877 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -75.69 -24.98 56.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 75.03 110.902 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.84 -47.65 9.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 73.24 111.156 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.91 -23.17 66.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 64.12 111.091 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -76.7 -26.26 54.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 65.52 110.907 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 62.05 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 54.21 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.48 -35.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.938 0.399 . . . . 65.14 110.876 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -54.49 30.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 74.13 110.919 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tp 50.18 39.04 18.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 74.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.72 -28.7 68.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.906 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.7 -52.49 64.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 72.22 110.912 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -55.11 -28.33 51.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.928 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.38 -44.71 12.52 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.694 -0.765 . . . . 65.31 112.519 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -71.79 -10.8 60.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 74.5 110.872 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.81 -23.31 29.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.863 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.2 -6.27 48.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 73.41 110.876 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 p -105.93 -22.21 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.152 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.88 -18.65 43.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.776 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -22.03 25.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.873 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.88 -48.1 80.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 71.55 110.904 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.76 -59.31 10.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.801 -0.714 . . . . 74.23 112.45 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.3 t -53.38 -34.21 56.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 74.24 110.845 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -67.4 -45.73 75.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 75.33 110.852 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.64 -24.0 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.32 111.141 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.7 ttp -87.31 -36.41 17.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 74.34 110.86 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.31 -27.18 62.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 75.24 110.898 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -82.28 -33.0 29.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 71.33 110.927 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.59 -19.81 28.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.03 110.914 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -80.85 -28.04 36.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 73.32 110.903 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.06 -25.85 31.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 75.52 110.889 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.23 -30.48 16.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.871 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -58.53 -40.01 81.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.893 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.6 mm -54.79 -26.26 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 74.12 111.153 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.85 -23.44 35.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.705 -0.759 . . . . 70.52 112.481 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.8 mt -94.58 -8.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 73.41 111.069 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.16 1.1 14.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 70.54 110.833 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.89 159.48 0.56 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.644 0.735 . . . . 75.42 110.871 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -44.57 2.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 75.33 112.401 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.89 -22.77 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.896 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -66.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 75.4 110.814 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -58.1 -20.48 40.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 75.22 110.854 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -83.81 -34.33 24.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.43 110.883 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -88.31 -18.3 28.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.882 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.92 -21.49 19.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 75.01 110.921 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.49 -38.56 40.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 74.42 110.945 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -75.73 -24.52 56.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.22 110.898 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.72 -28.25 19.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.42 111.128 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.78 -22.8 36.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 74.5 111.138 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 -66.99 -36.4 82.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 70.15 110.887 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 63.1 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 72.44 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -121.55 166.77 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.912 0.387 . . . . 74.43 110.857 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -87.36 -40.24 14.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 74.53 110.903 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 tp -59.76 -26.53 65.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 75.24 110.927 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.72 -34.1 52.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.967 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.6 -41.25 98.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 74.15 110.884 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -63.92 -26.78 68.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 71.14 110.869 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.46 -20.29 30.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.786 -0.721 . . . . 54.43 112.487 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -82.66 -26.35 32.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.891 0.377 . . . . 73.14 110.882 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -52.0 -51.37 57.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 75.33 110.847 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -28.23 66.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 73.4 110.837 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.5 t -79.54 -40.77 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 75.02 111.092 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -25.86 42.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.84 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -85.96 -40.42 15.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.868 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -35.1 75.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 73.32 110.917 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.99 -40.26 97.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 55.25 112.524 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -77.04 -30.92 55.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 73.25 110.872 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.85 -40.93 46.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 71.22 110.876 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.88 -23.86 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 75.33 111.118 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.5 ttt -87.72 -35.22 18.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 75.31 110.877 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.93 -28.88 63.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 74.21 110.912 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -81.87 -31.64 31.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 73.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -20.5 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.934 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -79.94 -30.49 39.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 61.53 110.847 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 pp -80.79 -25.12 38.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.02 110.912 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.21 -34.14 13.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 74.23 110.883 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.415 ' HA ' HG12 ' A' ' 30' ' ' ILE . 2.5 t0 -52.36 -40.37 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.888 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.2 mt -56.74 -25.85 22.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 72.51 111.098 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.28 -5.59 72.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 70.5 112.507 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.415 HG12 ' HA ' ' A' ' 27' ' ' ASP . 1.4 mm -99.41 -33.41 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 73.55 111.071 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.08 2.06 39.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 72.43 110.862 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.27 152.17 3.23 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.644 0.735 . . . . 74.43 110.837 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -44.58 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.635 2.223 . . . . 72.11 112.349 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -52.7 -25.4 10.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.91 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -52.93 -27.68 19.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 73.13 110.88 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -57.19 13.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.831 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -18.73 64.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.864 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -88.44 -26.01 22.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.1 110.89 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.98 -18.51 21.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.33 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -77.81 -45.41 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 72.01 110.948 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -74.34 -22.69 59.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.894 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.54 -27.31 22.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 62.25 111.085 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.68 -23.12 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 72.4 111.072 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 mtm-85 -68.35 -35.4 77.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.872 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 52.32 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 62.01 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t 71.54 -69.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 73.05 110.86 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.15 -26.62 65.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 75.24 110.859 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 mp -98.82 39.51 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 75.13 110.961 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -32.56 49.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.51 110.895 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.48 -45.56 53.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.911 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -56.24 -27.25 54.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 70.4 110.896 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.29 -34.28 8.18 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 75.34 112.451 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -70.23 -16.39 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 75.34 110.902 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.11 -25.24 40.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 73.14 110.865 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.2 -33.5 16.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 70.23 110.83 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.22 -28.58 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 73.41 111.16 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.93 -24.35 66.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.0 110.845 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -92.1 -32.7 15.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 54.34 110.89 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.8 -34.44 69.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 63.24 110.92 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.41 -63.59 4.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 74.22 112.448 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.1 -30.6 37.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 73.34 110.85 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -51.86 24.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 72.34 110.888 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.7 t -56.24 -26.29 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 73.3 111.126 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.1 ttp -84.37 -38.39 20.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 73.34 110.888 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.76 -27.56 64.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 75.14 110.881 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -81.2 -33.05 33.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.468 . . . . 71.05 110.907 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.69 -28.28 24.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 73.33 110.907 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -73.13 -28.59 62.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 65.32 110.852 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.26 -21.27 53.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.903 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.0 ptt85 -100.73 -29.1 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.905 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' HA ' HG12 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -51.71 -41.45 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.51 110.846 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.4 mm -56.83 -24.84 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 74.23 111.118 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.95 -4.46 69.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 52.42 112.515 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.407 HG12 ' HA ' ' A' ' 27' ' ' ASP . 1.2 mm -101.26 -32.41 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 65.22 111.135 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.24 1.68 39.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.14 110.875 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.52 151.89 3.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.529 0.68 . . . . 74.44 110.923 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -44.76 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.66 2.24 . . . . 74.02 112.388 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -52.46 -26.66 13.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 73.35 110.909 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -50.59 -47.76 57.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.859 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -61.48 -30.47 70.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 75.14 110.899 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -78.43 -33.19 48.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 74.25 110.882 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -82.15 -22.65 36.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 75.42 110.883 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.59 -22.38 22.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 73.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 tp -80.64 -31.5 36.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 74.0 110.927 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -79.99 -24.7 40.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.932 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.71 -31.98 15.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 74.02 111.06 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.04 -21.88 56.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 70.44 111.117 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -67.25 -36.58 81.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.858 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 11.04 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.9 t80 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.884 0.373 . . . . 62.43 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 19' ' ' VAL . 7.2 mt -51.96 -37.36 52.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.967 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.28 -65.24 3.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 71.52 112.487 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -31.31 29.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 72.31 110.858 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -52.38 28.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 64.52 110.873 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 15' ' ' LEU . 28.2 t -54.96 -27.01 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 63.2 111.1 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.4 ttp -82.94 -37.61 23.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 63.41 110.876 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.17 -30.38 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 62.22 110.915 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -79.15 -35.2 42.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 72.13 110.866 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.35 -23.46 32.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.96 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -78.87 -26.43 43.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 64.41 110.877 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -84.98 -26.04 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.889 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.1 -27.14 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.55 110.832 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.98 -35.9 82.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 64.34 110.848 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.9 mt -56.44 -26.19 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 64.33 111.181 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.0 -23.42 35.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 75.43 112.462 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 30' ' ' ILE . 21.9 mt -94.74 -9.02 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 61.33 111.137 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.21 -0.53 15.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 41.13 110.845 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.83 156.2 1.73 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.578 0.704 . . . . 71.52 110.883 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -46.41 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.259 . . . . 62.11 112.348 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -53.33 -27.53 23.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 63.13 110.946 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.73 -36.02 45.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 62.02 110.882 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -39.42 92.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 75.21 110.877 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -71.55 -31.74 67.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 65.42 110.866 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -83.38 -22.42 32.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 54.32 110.878 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.99 -22.82 22.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.981 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.94 -49.55 36.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.906 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -68.74 -24.77 64.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 72.45 110.916 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.84 -29.34 23.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 53.42 111.126 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.26 -23.53 26.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 73.21 111.115 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 64.21 110.893 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.869 0.366 . . . . 63.12 110.908 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.4 mt -55.02 -36.91 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 74.2 110.9 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.21 -64.69 3.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.706 -0.759 . . . . 72.43 112.53 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.12 -30.23 25.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 62.2 110.875 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -51.91 23.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 71.34 110.892 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 15' ' ' LEU . 24.3 t -56.54 -26.04 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 53.14 111.13 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.7 ttp -84.7 -38.59 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 64.21 110.906 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -70.43 -27.35 64.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.903 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -81.49 -33.71 31.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 73.44 110.87 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.74 -24.68 26.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 71.34 110.93 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.58 -30.78 57.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 73.4 110.866 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -76.74 -22.68 53.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 75.44 110.918 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -97.31 -32.23 12.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.877 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -52.54 -37.81 58.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.873 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.4 mt -54.93 -26.11 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 65.3 111.129 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.57 -16.24 29.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.701 -0.761 . . . . 72.33 112.492 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.8 mt -93.35 -16.13 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 72.43 111.144 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.22 0.02 21.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 64.4 110.832 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.69 155.61 1.87 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.729 . . . . 74.24 110.885 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -46.58 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.277 . . . . 71.13 112.364 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -52.88 -27.58 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 71.3 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.47 -40.11 58.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 73.53 110.855 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -36.94 85.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 72.55 110.855 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.33 -32.31 64.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 63.14 110.906 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -22.61 34.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.02 110.859 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 tp -89.19 -22.63 22.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.904 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.78 -48.22 40.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.916 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.34 -24.84 63.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 62.54 110.938 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.23 -29.36 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 55.5 111.061 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.7 -23.45 27.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 44.45 111.098 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.896 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.5 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.844 0.354 . . . . 73.55 110.863 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.714 ' O ' HG23 ' A' ' 19' ' ' VAL . 6.4 mt -56.27 -39.82 73.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 52.55 110.95 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.46 -65.34 3.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 41.2 112.478 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.6 m -52.05 -31.19 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 72.25 110.882 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.34 -52.39 27.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 72.22 110.921 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 15' ' ' LEU . 27.7 t -54.81 -27.09 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 55.24 111.166 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.1 ttt -82.78 -38.05 23.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 55.11 110.912 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.2 tt0 -68.86 -31.15 69.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 74.02 110.937 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.02 -35.07 50.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 63.31 110.909 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.62 -26.46 32.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 72.11 110.912 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -78.0 -29.2 49.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.83 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 21' ' ' GLU . 30.4 mt -80.61 -20.84 42.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 74.32 110.909 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.563 ' HG3' HD12 ' A' ' 30' ' ' ILE . 10.4 ptm180 -98.86 -32.64 11.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.873 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.59 -29.99 64.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 51.23 110.925 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.1 mt -54.64 -26.34 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 70.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.34 7.9 24.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 63.54 112.49 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.563 HD12 ' HG3' ' A' ' 26' ' ' ARG . 59.0 mt -116.9 -18.23 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 71.43 111.139 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.78 0.36 22.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 75.32 110.901 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.84 155.53 1.96 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.629 0.728 . . . . 74.34 110.84 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -46.66 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.266 . . . . 74.03 112.331 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -52.77 -27.64 18.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 75.51 110.853 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -45.42 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.88 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -30.52 70.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 64.54 110.847 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.32 -33.3 49.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.878 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -82.09 -22.61 36.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 74.22 110.895 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -22.37 22.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 74.41 110.901 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -47.95 39.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 75.24 110.923 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -24.74 63.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.951 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.6 -28.86 23.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 51.31 111.104 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.9 -23.4 27.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 55.51 111.095 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.13 110.903 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.9 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.931 0.396 . . . . 73.0 110.908 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 19' ' ' VAL . 3.0 mt -52.56 -38.98 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 74.35 110.901 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.29 -65.6 3.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 65.33 112.51 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.1 t -51.98 -31.58 29.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 64.43 110.866 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.76 -52.52 29.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 64.42 110.89 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 15' ' ' LEU . 30.4 t -54.27 -27.38 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.151 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.2 ttm -82.46 -37.64 25.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 61.43 110.893 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.98 -30.67 69.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 63.31 110.891 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -78.88 -35.27 43.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 52.52 110.923 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.14 -23.4 32.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 62.34 110.917 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.36 -26.23 42.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.874 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -84.95 -28.56 25.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 70.33 110.926 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.02 -29.85 20.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 71.25 110.832 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -58.42 -44.8 89.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 75.34 110.82 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.6 mm -56.35 -26.0 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 62.01 111.153 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.57 -24.58 45.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.772 -0.728 . . . . 43.41 112.471 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.8 mt -95.4 -13.08 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 74.1 111.116 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.7 -0.24 18.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.903 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.63 155.89 1.75 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.578 0.704 . . . . 65.34 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -46.49 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 2.255 . . . . 73.21 112.369 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -53.1 -27.47 20.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.938 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.69 -33.74 35.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 73.51 110.829 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -41.11 94.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.891 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -70.09 -32.33 70.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 71.51 110.855 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.42 -22.83 35.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.33 110.885 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.0 tp -89.11 -22.61 22.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 72.23 110.94 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 tt -76.71 -39.97 50.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 72.13 110.939 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -25.05 59.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 64.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.97 -33.86 19.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 61.4 111.116 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.16 38.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 44.34 111.072 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 72.43 110.849 -179.889 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.7 t80 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.85 0.357 . . . . 73.23 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.7 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -58.02 -34.26 69.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 64.41 110.972 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.77 -57.26 16.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 63.21 112.488 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.5 p -57.15 -31.57 65.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 52.31 110.863 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.28 -51.13 26.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 44.52 110.921 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 15' ' ' LEU . 21.9 t -59.08 -23.94 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 62.02 111.16 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.9 ttm -87.33 -36.46 17.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.917 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -72.36 -27.3 62.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 74.44 110.883 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -81.92 -33.43 30.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 65.54 110.912 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.73 -22.28 27.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.898 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -78.37 -28.21 47.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 64.33 110.881 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.512 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -82.2 -24.85 34.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 73.44 110.907 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -25.74 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.855 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.73 -28.69 67.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 71.04 110.848 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 25' ' ' LEU . 10.8 mt -56.27 -26.29 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 74.25 111.088 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.86 2.57 58.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 53.12 112.489 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 30' ' ' ILE . 19.3 mt -121.15 -7.33 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 63.1 111.147 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.04 -0.25 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 71.22 110.868 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.79 156.53 1.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.608 0.718 . . . . 73.51 110.875 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -45.72 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 50.43 112.335 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -54.5 -25.51 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 63.14 110.898 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -29.0 49.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 63.24 110.859 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -55.98 24.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 62.25 110.915 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.0 ptt180 -64.51 -20.24 66.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 74.24 110.82 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.84 -26.3 24.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 54.33 110.879 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 tp -94.55 -18.81 21.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 75.15 110.934 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mt -79.95 -40.37 28.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 70.3 110.903 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -76.71 -23.22 53.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 72.21 110.896 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.21 -36.34 16.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 71.25 111.11 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.62 -33.02 62.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 40.53 111.105 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 74.42 110.849 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.1 t80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.899 0.381 . . . . 71.42 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -65.53 -47.23 76.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.898 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.02 -47.59 59.84 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 65.04 112.466 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.4 m -68.96 -12.78 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.906 0.384 . . . . 54.43 110.833 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.79 -47.8 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.55 110.856 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 15' ' ' LEU . 26.6 t -55.37 -29.47 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 74.21 111.131 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.1 ptm -79.03 -33.94 44.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 73.1 110.904 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.95 -34.7 71.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.93 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -77.64 -27.36 51.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 71.3 110.92 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.3 -29.68 30.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 73.23 110.922 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -77.48 -25.77 50.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.87 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.01 -25.69 34.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 72.23 110.938 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -90.56 -32.12 16.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 61.3 110.914 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -53.16 -48.88 67.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.827 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.8 mm -55.14 -26.04 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.1 111.145 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.56 -26.45 38.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 75.02 112.467 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.0 mt -93.25 -12.66 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 74.23 111.122 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.12 -0.09 18.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.14 110.832 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.6 155.83 1.75 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.646 0.736 . . . . 74.41 110.855 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -46.64 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 62.35 112.357 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -52.99 -27.49 19.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 74.3 110.909 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -42.48 62.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 64.21 110.847 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -35.5 80.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 54.04 110.893 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -74.43 -32.74 62.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 72.11 110.878 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.39 -22.63 35.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 65.44 110.893 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 tp -89.4 -22.53 22.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 73.4 110.863 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.3 tp -73.12 -47.67 42.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.907 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -69.79 -24.81 63.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 61.51 110.92 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.88 -28.61 22.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 63.51 111.091 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.94 -23.48 26.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 71.5 111.108 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 72.23 110.874 -179.903 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.8 t80 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.914 0.388 . . . . 72.34 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.537 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -56.64 -47.73 79.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 71.11 110.929 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.62 -45.28 68.3 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 70.43 112.509 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -13.47 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 74.53 110.825 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.72 -47.46 7.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 72.03 110.923 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 15' ' ' LEU . 31.7 t -55.76 -29.37 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 72.32 111.164 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -79.11 -33.95 43.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 75.15 110.865 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.95 -34.65 71.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.412 . . . . 73.35 110.886 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -77.73 -27.44 50.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.926 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.37 -29.47 30.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 62.03 110.891 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -77.24 -25.76 51.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 71.32 110.865 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -82.83 -25.88 32.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 73.04 110.908 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.528 ' O ' HD12 ' A' ' 30' ' ' ILE . 19.5 ptp180 -91.09 -32.19 15.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.859 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -52.34 -49.19 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 63.31 110.837 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.7 mm -55.14 -26.03 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.42 111.166 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.61 -25.12 36.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 40.12 112.499 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 26' ' ' ARG . 3.4 mt -91.12 -18.13 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 74.35 111.111 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.57 0.38 22.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 34.14 110.856 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.52 155.44 1.84 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 73.15 110.873 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -46.76 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 64.4 112.363 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -52.66 -27.57 17.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 63.43 110.951 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.52 -44.4 62.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 70.34 110.876 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.498 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.5 mtp85 -61.41 -32.23 72.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 60.41 110.872 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -76.87 -33.47 57.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 70.13 110.885 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -81.49 -22.99 37.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.915 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -89.59 -22.26 22.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 72.41 110.962 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -71.11 -52.11 21.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 72.52 110.897 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.11 -24.24 65.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 70.04 110.95 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.35 -35.57 23.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 62.21 111.088 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.67 -23.16 34.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 64.43 111.13 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 72.54 110.857 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.3 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.906 0.384 . . . . 65.13 110.932 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.634 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -55.05 -47.7 74.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 62.45 110.931 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.21 -47.5 55.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.68 -0.771 . . . . 61.02 112.526 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.82 -11.84 60.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 72.52 110.827 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -89.63 -43.33 10.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.42 110.898 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 15' ' ' LEU . 23.1 t -56.57 -30.7 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 51.24 111.105 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.5 ptm -77.88 -32.86 52.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.916 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -71.75 -31.41 66.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 61.14 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.436 ' HA ' HD23 ' A' ' 25' ' ' LEU . 25.4 pt-20 -81.32 -27.91 34.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 73.1 110.938 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.55 -18.91 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 55.44 110.922 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -82.85 -29.33 29.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 72.14 110.852 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 22' ' ' GLU . 1.6 pp -81.44 -24.71 36.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 63.3 110.898 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 -33.2 15.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.876 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -40.87 74.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.88 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.8 mm -54.57 -26.45 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 53.34 111.12 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.15 -22.65 37.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 73.4 112.487 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 30' ' ' ILE . 28.6 mt -93.13 -11.27 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 73.53 111.09 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.8 -0.34 17.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.53 110.827 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.86 155.9 1.85 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.62 0.724 . . . . 70.03 110.862 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -46.36 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 74.34 112.381 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -53.28 -27.23 21.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 72.42 110.916 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.88 -49.23 63.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 74.12 110.847 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -24.53 59.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.873 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.52 -32.46 25.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 52.11 110.903 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -83.71 -21.89 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.913 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.86 -22.61 21.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.88 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.9 tp -72.74 -48.44 38.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 73.35 110.919 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -69.34 -24.78 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.963 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.84 -30.09 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.44 111.115 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.77 -23.53 29.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 53.13 111.099 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 74.01 110.884 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.843 0.354 . . . . 73.15 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.734 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -55.51 -31.6 62.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.913 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.12 -49.98 72.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 65.02 112.492 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -65.05 -15.34 62.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 71.25 110.848 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.33 -46.97 7.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.903 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 15' ' ' LEU . 57.7 t -55.94 -29.46 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 72.41 111.168 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.3 ptm -79.05 -33.52 44.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 71.02 110.847 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.9 -33.4 68.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 55.52 110.884 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -78.48 -27.67 46.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 73.43 110.883 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -91.06 -18.2 24.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 75.22 110.934 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -83.93 -29.19 27.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.879 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 26' ' ' ARG . 4.6 pp -86.42 -23.07 26.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.44 110.921 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.472 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -95.7 25.16 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 75.42 110.9 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -130.79 -48.04 1.04 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 62.1 110.879 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.0 mt -56.06 -26.15 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 73.43 111.074 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.47 -22.02 45.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.76 . . . . 52.43 112.477 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 mt -95.47 -12.37 8.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.845 0.355 . . . . 75.54 111.105 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.35 -0.06 17.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 64.24 110.821 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.61 155.87 1.74 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.592 0.71 . . . . 73.11 110.868 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -46.63 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 64.51 112.346 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -27.43 19.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 75.01 110.933 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.8 -37.33 51.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 75.54 110.832 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -65.22 -38.16 89.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 74.12 110.874 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -72.47 -31.68 65.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.51 110.915 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 -22.3 32.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 62.52 110.916 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 tp -88.96 -22.93 22.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 60.14 110.921 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.1 tp -72.45 -48.4 41.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.928 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -69.08 -24.95 64.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.923 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.74 -29.52 22.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 41.22 111.059 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.61 -21.77 32.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 70.34 111.135 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 71.13 110.874 -179.891 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.8 t80 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.881 0.372 . . . . 64.45 110.945 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.51 -35.06 73.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.94 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.13 -36.97 94.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 73.52 112.491 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.3 p -81.04 -34.79 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.363 . . . . 75.04 110.823 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -72.5 -39.72 67.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 63.34 110.908 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.33 -25.05 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 54.31 111.143 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.2 ttp -84.66 -35.1 22.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 72.42 110.874 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.15 -32.96 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 65.14 110.927 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.2 -34.59 49.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 62.13 110.893 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.51 -22.69 34.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 73.22 110.927 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -79.72 -26.05 40.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 71.51 110.877 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -84.46 -31.95 24.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.881 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.71 -27.71 31.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 43.34 110.87 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -64.2 -42.92 96.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.852 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.2 mt -55.27 -26.22 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 73.23 111.121 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.39 -25.82 41.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 61.44 112.489 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.7 mt -93.75 -13.18 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.854 0.359 . . . . 55.21 111.131 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.58 -0.19 18.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 63.2 110.91 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.62 155.88 1.74 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 61.14 110.913 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -46.4 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.699 2.266 . . . . 61.43 112.343 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -53.12 -27.5 21.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 72.52 110.882 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -36.03 45.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 65.22 110.838 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -65.25 -39.24 92.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 71.4 110.859 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -71.6 -31.81 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -83.31 -22.48 32.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 62.33 110.876 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tp -88.93 -22.89 22.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 72.52 110.956 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.88 -47.6 44.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.901 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -69.54 -25.01 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.873 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.91 -28.68 22.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.21 111.097 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.34 -23.51 28.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 53.14 111.127 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.84 -179.9 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.2 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.925 0.393 . . . . 73.42 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.723 ' O ' HG23 ' A' ' 19' ' ' VAL . 16.3 tp -55.25 -36.06 65.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.933 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.78 -65.17 3.72 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 64.01 112.48 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -34.09 42.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 72.31 110.861 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.08 -52.53 40.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 74.43 110.909 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 15' ' ' LEU . 65.6 t -51.29 -30.77 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 70.34 111.105 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.2 ttp -76.07 -34.8 59.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 42.54 110.854 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.62 -31.38 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.896 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.494 ' HA ' HD23 ' A' ' 25' ' ' LEU . 5.6 mm-40 -80.09 -30.98 39.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 73.23 110.913 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.07 -22.97 25.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 71.31 110.869 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -77.82 -31.18 51.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 51.41 110.799 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 22' ' ' GLU . 1.5 pp -78.18 -17.67 56.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 74.43 110.911 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -104.21 -32.1 9.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 54.31 110.904 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -51.31 -36.1 41.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 72.12 110.855 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.7 mt -52.16 -26.78 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 74.24 111.151 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.9 -15.61 30.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 33.22 112.516 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 30' ' ' ILE . 11.6 mt -100.92 2.77 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 73.44 111.157 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.75 0.92 8.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 55.54 110.868 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.18 155.11 1.76 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.61 0.719 . . . . 73.23 110.862 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 -24.17 29.67 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.241 . . . . 73.13 112.374 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -78.73 -2.07 37.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.9 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.45 -45.65 15.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.875 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -34.21 77.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 71.21 110.866 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.12 -24.37 43.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.868 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -89.88 -21.49 22.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 71.22 110.938 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.2 tp -91.34 -22.17 20.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.925 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -57.3 6.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 72.33 110.931 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -67.0 -23.15 65.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.948 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.01 -30.34 31.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 61.53 111.076 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.37 -23.45 22.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.087 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 70.25 110.871 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.915 0.388 . . . . 73.34 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -57.89 -31.43 66.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 71.44 110.862 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.36 -36.97 79.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 71.31 112.482 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -83.79 -18.69 36.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 74.4 110.879 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -90.95 -36.78 13.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 62.24 110.906 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 p -61.52 -28.54 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 51.43 111.092 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -74.84 -34.39 62.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.861 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.578 ' OE2' HD13 ' A' ' 25' ' ' LEU . 8.7 tp10 -68.4 -43.73 76.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.428 . . . . 75.43 110.906 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -69.38 -27.34 65.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 62.14 110.881 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -37.17 46.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 75.53 110.908 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.91 -19.19 57.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 73.5 110.89 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.578 HD13 ' OE2' ' A' ' 21' ' ' GLU . 1.1 tp -87.28 -24.19 24.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.891 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -29.34 18.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.868 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.9 -36.93 85.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.03 110.887 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.0 mt -54.77 -26.17 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.121 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.09 -20.7 32.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 64.02 112.485 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.4 mt -91.87 -16.42 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 71.35 111.115 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.12 0.1 21.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 74.51 110.902 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.77 155.55 1.92 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 63.22 110.913 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -46.52 1.19 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.68 2.254 . . . . 52.54 112.359 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -52.86 -27.23 17.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 73.32 110.953 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.8 -38.84 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 65.15 110.872 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -32.35 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.865 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.75 -33.49 58.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 64.34 110.897 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -81.3 -23.11 38.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 63.32 110.895 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 tp -89.69 -22.17 22.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 74.44 110.877 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -51.88 21.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.882 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.22 -24.29 64.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 71.33 110.896 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.48 -37.55 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 54.03 111.082 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.35 -23.13 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 53.33 111.103 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.896 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.893 0.378 . . . . 73.23 110.9 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' ' 19' ' ' VAL . 8.4 tp -74.12 -54.18 8.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.938 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.81 -42.03 52.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 51.34 112.472 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.9 m -68.35 -35.25 77.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 71.32 110.866 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -68.28 -51.66 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.882 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 15' ' ' LEU . 38.2 t -51.77 -29.55 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 74.2 111.132 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.7 ttt -74.1 -40.94 62.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 74.33 110.886 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.523 ' OE1' HD23 ' A' ' 25' ' ' LEU . 4.6 tp10 -62.45 -41.32 98.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 72.52 110.84 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -69.36 -36.09 76.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.879 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -31.74 60.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 64.1 110.937 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -78.87 -25.24 43.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 70.51 110.871 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.523 HD23 ' OE1' ' A' ' 21' ' ' GLU . 1.6 mm? -84.39 -23.35 30.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 45.01 110.884 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -93.08 -32.38 14.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.857 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -51.97 -51.24 58.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 62.22 110.849 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.7 mt -54.88 -26.17 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 72.11 111.133 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.09 -26.81 39.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 72.33 112.466 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.6 mt -92.37 -14.63 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 74.42 111.169 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.73 0.06 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 65.14 110.879 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.46 155.67 1.74 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.599 0.714 . . . . 74.44 110.855 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -46.62 1.15 Allowed 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.696 2.264 . . . . 74.21 112.308 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -52.87 -27.47 18.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 52.12 110.945 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.6 -42.48 61.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 70.32 110.88 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -35.41 80.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 70.51 110.868 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -32.53 62.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.857 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -22.62 34.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.919 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.28 -22.55 22.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 62.34 110.932 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.4 tp -72.91 -48.0 40.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.919 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -24.86 63.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 71.44 110.907 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.48 -30.55 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 73.34 111.074 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.04 -23.39 30.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 72.42 111.101 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.32 110.863 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.4 t80 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.898 0.38 . . . . 61.14 110.835 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.751 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -51.91 -41.27 61.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 73.14 110.94 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.05 -66.54 2.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 55.44 112.516 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -33.18 39.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 73.53 110.852 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.99 -52.9 45.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 75.33 110.873 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 15' ' ' LEU . 39.8 t -50.92 -30.55 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.23 111.123 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.5 ttm -77.88 -36.36 49.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 70.33 110.87 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.14 -25.67 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 74.51 110.868 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.02 -33.41 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 74.24 110.876 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.34 -23.04 26.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.927 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -76.93 -31.21 56.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 64.03 110.86 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.57 -24.84 49.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 70.43 110.883 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -95.13 -32.24 13.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 55.12 110.843 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.99 -36.4 62.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 73.2 110.853 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.3 mm -54.69 -26.27 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 70.42 111.145 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.16 -19.13 31.56 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.714 -0.755 . . . . 53.23 112.508 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 30' ' ' ILE . 16.0 mt -96.32 -4.7 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.351 . . . . 42.23 111.076 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.06 -0.3 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 31.31 110.874 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.57 157.1 1.34 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 63.3 110.91 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.94 1.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.718 2.279 . . . . 42.45 112.381 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -54.59 -25.91 29.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 62.24 110.9 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.61 -27.49 39.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 72.54 110.856 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -74.28 -31.86 62.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 71.03 110.839 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -77.52 -29.0 52.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.834 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.1 -22.29 25.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 64.33 110.86 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 tp -86.03 -25.2 26.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.872 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -70.74 -48.17 55.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 70.23 110.909 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -67.86 -25.84 65.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 73.23 110.912 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.56 -29.85 22.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 71.35 111.061 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.49 -23.46 32.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.31 111.116 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 71.34 110.845 -179.901 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.8 t80 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.874 0.368 . . . . 64.22 110.851 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.708 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -54.55 -44.99 73.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 61.51 110.886 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.63 -64.75 3.82 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 75.41 112.488 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.15 -30.26 25.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 43.3 110.861 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -51.87 23.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 61.44 110.876 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 15' ' ' LEU . 24.9 t -56.49 -26.06 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 73.15 111.125 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.6 ttp -84.57 -38.53 19.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 41.44 110.872 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.24 -27.89 64.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 64.52 110.895 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -80.95 -33.84 33.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.12 110.881 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.11 -25.45 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 71.03 110.941 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -76.89 -24.3 52.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 73.2 110.864 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -80.81 -24.07 38.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 74.03 110.905 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.71 -30.49 15.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 64.43 110.9 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.71 -34.59 74.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 65.25 110.872 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.3 mt -54.9 -26.21 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 72.24 111.134 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.97 -20.76 32.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 75.43 112.52 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 30' ' ' ILE . 17.0 mt -96.34 -5.43 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 71.5 111.142 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.77 1.06 12.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.832 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.66 159.87 0.51 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.611 0.719 . . . . 74.33 110.891 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -44.37 2.15 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.736 2.291 . . . . 71.33 112.328 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -22.31 20.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 60.24 110.891 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -66.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 72.44 110.895 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -19.97 44.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 62.44 110.875 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -84.59 -33.97 23.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 73.41 110.872 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.56 -18.2 28.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 52.14 110.885 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 tp -94.51 -21.16 19.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.04 110.912 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 tt -76.63 -43.16 39.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 62.34 110.947 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -73.2 -24.34 60.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 73.04 110.899 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.31 -28.21 21.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.04 111.07 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.24 -23.16 32.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 70.32 111.124 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.893 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.6 t80 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.943 0.401 . . . . 70.02 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.676 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -65.75 -36.75 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 73.35 110.888 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.42 -60.0 9.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 74.21 112.512 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.9 m -53.18 -29.03 29.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.939 0.4 . . . . 74.12 110.899 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.12 -45.18 27.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 63.2 110.856 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 15' ' ' LEU . 96.2 t -62.4 -23.67 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 64.2 111.152 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.1 ttm -82.97 -39.44 21.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.885 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.4 -30.93 70.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.02 110.885 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.468 ' HA ' HD23 ' A' ' 25' ' ' LEU . 19.6 pt-20 -78.58 -35.12 46.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.88 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.72 -16.83 40.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 73.23 110.921 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -89.26 -21.06 23.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 51.32 110.846 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 22' ' ' GLU . 0.8 OUTLIER -93.75 -24.04 17.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.931 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.5 ptt85 -92.36 -31.27 15.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.51 110.879 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.74 -34.22 77.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 74.21 110.867 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.7 mt -64.87 -25.49 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.155 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.65 3.06 45.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 73.23 112.452 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.1 mt -117.76 -21.43 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 74.44 111.14 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.78 1.47 22.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 64.33 110.876 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.5 155.86 1.69 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.7 . . . . 61.23 110.887 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -46.42 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.713 2.275 . . . . 73.13 112.328 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -53.39 -26.48 19.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 34.43 110.897 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -53.58 -28.24 30.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.844 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -56.38 20.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 72.01 110.867 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.3 ptt85 -63.94 -21.64 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 71.24 110.853 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -85.11 -26.82 26.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.862 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.416 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -93.89 -19.21 21.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 70.41 110.924 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -84.94 -28.42 25.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 51.4 110.896 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -84.82 -22.94 29.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.23 110.933 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -93.24 -27.83 16.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.41 111.136 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.08 -22.89 38.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.41 111.106 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.859 -179.909 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.1 t80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.931 0.396 . . . . 71.02 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 mt -67.57 -34.1 76.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 74.23 110.898 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.98 -39.97 97.79 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 70.25 112.489 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.06 -34.92 57.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 72.02 110.846 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -72.19 -49.56 34.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 62.43 110.862 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.5 p -53.72 -27.5 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.51 111.142 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.6 ttp -74.67 -38.75 62.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.856 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -69.8 -29.39 66.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.91 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' HA ' HD23 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -79.46 -31.68 42.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 61.44 110.845 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.04 -19.06 27.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.03 110.939 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -86.18 -27.27 24.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 70.54 110.857 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -85.04 -22.13 29.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.896 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.499 ' HG3' HD12 ' A' ' 30' ' ' ILE . 29.0 ptt180 -93.1 -32.8 14.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 75.25 110.901 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -61.69 -33.07 73.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 73.54 110.844 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 25' ' ' LEU . 21.4 mt -54.84 -26.06 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.41 111.152 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.22 7.97 24.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 21.34 112.483 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.499 HD12 ' HG3' ' A' ' 26' ' ' ARG . 34.9 mt -116.93 -19.98 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.811 0.338 . . . . 75.22 111.114 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.43 0.51 22.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 64.22 110.885 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.99 155.44 2.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.705 . . . . 55.4 110.896 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -46.67 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 72.41 112.298 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -52.77 -27.29 17.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.91 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.83 -38.97 57.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.837 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -32.33 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 74.5 110.893 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -76.77 -33.5 58.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 74.01 110.897 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -23.07 37.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.86 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -22.17 22.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 73.54 110.926 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -78.24 -37.56 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 54.02 110.877 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -75.69 -24.98 56.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 75.03 110.902 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.84 -47.65 9.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 52.44 111.156 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.91 -23.17 66.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 64.12 111.091 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 65.52 110.907 -179.951 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.88 0.371 . . . . 71.34 110.873 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.744 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -57.88 -48.1 80.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 71.55 110.904 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.76 -59.31 10.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.801 -0.714 . . . . 74.23 112.45 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.3 t -53.38 -34.21 56.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 74.24 110.845 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -67.4 -45.73 75.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 62.54 110.852 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 15' ' ' LEU . 21.6 t -61.64 -24.0 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.32 111.141 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.7 ttp -87.31 -36.41 17.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 74.34 110.86 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.31 -27.18 62.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 75.24 110.898 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' HA ' HD23 ' A' ' 25' ' ' LEU . 2.5 pp20? -82.28 -33.0 29.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 70.11 110.927 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.59 -19.81 28.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.03 110.914 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -80.85 -28.04 36.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 73.25 110.903 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 22' ' ' GLU . 1.6 pp -83.06 -25.85 31.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 64.44 110.889 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.23 -30.48 16.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.2 110.871 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -58.53 -40.01 81.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.893 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.6 mm -54.79 -26.26 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 74.12 111.153 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.85 -23.44 35.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.705 -0.759 . . . . 61.41 112.481 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 30' ' ' ILE . 22.8 mt -94.58 -8.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 73.41 111.069 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.16 1.1 14.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 64.25 110.833 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.89 159.48 0.56 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.644 0.735 . . . . 75.42 110.871 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -44.57 2.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 75.33 112.401 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.89 -22.77 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.896 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -66.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 71.35 110.814 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -58.1 -20.48 40.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 74.34 110.854 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -83.81 -34.33 24.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 51.45 110.883 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -88.31 -18.3 28.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.882 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.92 -21.49 19.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 75.01 110.921 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.49 -38.56 40.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 73.2 110.945 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -75.73 -24.52 56.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.898 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.72 -28.25 19.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.128 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.78 -22.8 36.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 74.04 111.138 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 70.15 110.887 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.85 0.357 . . . . 72.52 110.868 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -35.1 75.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 73.32 110.917 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.99 -40.26 97.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 54.53 112.524 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -77.04 -30.92 55.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 73.25 110.872 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.85 -40.93 46.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 71.13 110.876 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.88 -23.86 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 75.33 111.118 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.5 ttt -87.72 -35.22 18.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 73.5 110.877 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.93 -28.88 63.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 72.43 110.912 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' HA ' HD23 ' A' ' 25' ' ' LEU . 2.9 pp20? -81.87 -31.64 31.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 63.45 110.911 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -20.5 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.934 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -79.94 -30.49 39.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 61.53 110.847 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 22' ' ' GLU . 1.8 pp -80.79 -25.12 38.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.02 110.912 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.21 -34.14 13.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 72.3 110.883 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.447 ' HA ' HG12 ' A' ' 30' ' ' ILE . 2.5 t0 -52.36 -40.37 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 61.24 110.888 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.2 mt -56.74 -25.85 22.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 70.54 111.098 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.28 -5.59 72.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 52.22 112.507 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.447 HG12 ' HA ' ' A' ' 27' ' ' ASP . 1.4 mm -99.41 -33.41 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 73.55 111.071 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.08 2.06 39.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 64.53 110.862 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.27 152.17 3.23 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.644 0.735 . . . . 74.43 110.837 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -44.58 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.635 2.223 . . . . 54.44 112.349 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -52.7 -25.4 10.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.91 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -52.93 -27.68 19.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 73.13 110.88 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -57.19 13.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.831 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -18.73 64.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.864 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -88.44 -26.01 22.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.24 110.89 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.98 -18.51 21.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.23 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -77.81 -45.41 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 72.01 110.948 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -74.34 -22.69 59.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.894 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.54 -27.31 22.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 62.25 111.085 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.68 -23.12 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 72.4 111.072 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 mtm-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 74.05 110.872 -179.924 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.6 t80 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.897 0.38 . . . . 54.21 110.89 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.2 mt -57.8 -34.44 69.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 51.05 110.92 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.41 -63.59 4.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 74.22 112.448 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.1 -30.6 37.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 73.34 110.85 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -51.86 24.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 72.34 110.888 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 15' ' ' LEU . 24.7 t -56.24 -26.29 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 73.3 111.126 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.1 ttp -84.37 -38.39 20.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 60.4 110.888 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.76 -27.56 64.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 71.35 110.881 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -81.2 -33.05 33.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.468 . . . . 71.05 110.907 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.69 -28.28 24.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 70.32 110.907 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -73.13 -28.59 62.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 52.02 110.852 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.26 -21.27 53.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.903 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.0 ptt85 -100.73 -29.1 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.905 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.441 ' HA ' HG12 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -51.71 -41.45 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.846 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.4 mm -56.83 -24.84 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 73.33 111.118 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.95 -4.46 69.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 52.42 112.515 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.441 HG12 ' HA ' ' A' ' 27' ' ' ASP . 1.2 mm -101.26 -32.41 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 61.31 111.135 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.24 1.68 39.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 50.52 110.875 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.52 151.89 3.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.529 0.68 . . . . 74.44 110.923 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -44.76 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.66 2.24 . . . . 74.02 112.388 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -52.46 -26.66 13.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 73.35 110.909 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -50.59 -47.76 57.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.859 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -61.48 -30.47 70.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 75.14 110.899 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -78.43 -33.19 48.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 72.41 110.882 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -82.15 -22.65 36.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.883 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.406 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -89.59 -22.38 22.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 73.0 110.931 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 tp -80.64 -31.5 36.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 65.03 110.927 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -79.99 -24.7 40.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.932 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.71 -31.98 15.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 60.3 111.06 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.04 -21.88 56.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 42.44 111.117 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 73.11 110.858 -179.881 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 65.13 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -141.68 153.11 44.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.944 0.402 . . . . 63.11 110.83 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -53.79 52.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 61.41 110.882 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 50.21 38.85 18.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 72.41 110.905 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tt -82.07 -31.46 30.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 51.23 110.93 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.58 -41.12 96.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 60.43 110.953 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -56.87 -27.19 60.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 62.24 110.912 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.49 -38.28 5.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 62.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -26.57 67.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.371 . . . . 62.23 110.898 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -52.21 -54.0 36.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 75.01 110.876 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -56.27 -26.36 51.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 75.31 110.872 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.8 t -81.77 -42.2 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 73.44 111.157 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.83 -25.83 43.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.863 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -87.45 -41.01 13.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 62.43 110.882 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 19' ' ' VAL . 7.2 mt -51.96 -37.36 52.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.967 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.28 -65.24 3.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 71.52 112.487 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -31.31 29.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 72.31 110.858 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -52.38 28.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 64.52 110.873 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 15' ' ' LEU . 28.2 t -54.96 -27.01 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 63.2 111.1 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.4 ttp -82.94 -37.61 23.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 63.41 110.876 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.17 -30.38 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 62.22 110.915 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -79.15 -35.2 42.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 72.13 110.866 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.35 -23.46 32.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.96 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -78.87 -26.43 43.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 64.41 110.877 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -84.98 -26.04 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.889 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.1 -27.14 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.55 110.832 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.98 -35.9 82.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 64.34 110.848 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.9 mt -56.44 -26.19 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 64.33 111.181 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.0 -23.42 35.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 75.43 112.462 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 30' ' ' ILE . 21.9 mt -94.74 -9.02 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 61.33 111.137 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.21 -0.53 15.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 41.13 110.845 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.83 156.2 1.73 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.578 0.704 . . . . 71.52 110.883 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -46.41 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.259 . . . . 62.11 112.348 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -53.33 -27.53 23.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 63.13 110.946 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.73 -36.02 45.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 62.02 110.882 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -39.42 92.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 75.21 110.877 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -71.55 -31.74 67.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 65.42 110.866 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -83.38 -22.42 32.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 54.32 110.878 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.99 -22.82 22.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.981 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.94 -49.55 36.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.906 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -68.74 -24.77 64.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 72.45 110.916 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.84 -29.34 23.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 53.42 111.126 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.26 -23.53 26.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 73.21 111.115 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -68.59 -35.05 76.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 64.21 110.893 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 54.43 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 41.34 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.29 170.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.954 0.407 . . . . 74.12 110.864 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.12 8.57 10.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 65.14 110.936 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.04 26.23 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 52.54 110.937 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.99 26.23 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 75.44 110.909 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.65 -55.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 74.33 110.907 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.65 -27.7 66.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.889 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.06 -25.52 21.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 61.33 112.44 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -83.24 -26.71 30.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.863 0.363 . . . . 73.34 110.88 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -52.12 -48.94 64.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 51.14 110.85 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -26.3 66.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 55.44 110.86 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 51.2 t -81.72 -42.55 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 75.34 111.134 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.52 -26.13 41.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.876 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -86.62 -30.61 21.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 63.12 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.4 mt -55.02 -36.91 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 74.2 110.9 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.21 -64.69 3.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.706 -0.759 . . . . 72.43 112.53 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.12 -30.23 25.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 62.2 110.875 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -51.91 23.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 71.34 110.892 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 15' ' ' LEU . 24.3 t -56.54 -26.04 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 53.14 111.13 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.7 ttp -84.7 -38.59 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 64.21 110.906 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -70.43 -27.35 64.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.903 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -81.49 -33.71 31.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 73.44 110.87 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.74 -24.68 26.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 71.34 110.93 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.58 -30.78 57.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 73.4 110.866 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -76.74 -22.68 53.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 75.44 110.918 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -97.31 -32.23 12.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.877 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -52.54 -37.81 58.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.873 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.4 mt -54.93 -26.11 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 65.3 111.129 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.57 -16.24 29.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.701 -0.761 . . . . 72.33 112.492 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.8 mt -93.35 -16.13 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 72.43 111.144 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.22 0.02 21.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 64.4 110.832 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.69 155.61 1.87 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.729 . . . . 74.24 110.885 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -46.58 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.277 . . . . 71.13 112.364 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -52.88 -27.58 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 71.3 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.47 -40.11 58.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 73.53 110.855 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -36.94 85.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 72.55 110.855 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.33 -32.31 64.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 63.14 110.906 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -22.61 34.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.02 110.859 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 tp -89.19 -22.63 22.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.904 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.78 -48.22 40.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.916 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.34 -24.84 63.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 62.54 110.938 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.23 -29.36 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 55.5 111.061 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.7 -23.45 27.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 44.45 111.098 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.58 -35.11 76.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.896 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 13.21 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 64.13 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -102.21 -179.34 3.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.964 0.412 . . . . 52.23 110.867 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -31.19 66.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.942 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -32.2 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.941 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -31.92 66.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 60.14 110.891 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tp -61.17 -42.81 99.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 71.12 110.919 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.46 -26.41 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 63.01 110.869 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.39 -40.3 10.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 72.34 112.461 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.79 -27.31 68.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 74.04 110.881 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -52.0 -49.84 62.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 74.02 110.863 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -59.86 -26.35 65.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 74.24 110.849 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.7 t -81.36 -42.59 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 75.41 111.129 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.56 -26.08 41.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 74.02 110.861 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -88.25 -30.09 19.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 73.55 110.863 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.714 ' O ' HG23 ' A' ' 19' ' ' VAL . 6.4 mt -56.27 -39.82 73.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 52.55 110.95 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.46 -65.34 3.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 41.2 112.478 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.6 m -52.05 -31.19 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 72.25 110.882 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.34 -52.39 27.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 72.22 110.921 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 15' ' ' LEU . 27.7 t -54.81 -27.09 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 55.24 111.166 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.1 ttt -82.78 -38.05 23.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 55.11 110.912 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.2 tt0 -68.86 -31.15 69.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 74.02 110.937 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.02 -35.07 50.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 63.31 110.909 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.62 -26.46 32.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 72.11 110.912 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -78.0 -29.2 49.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.83 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 21' ' ' GLU . 30.4 mt -80.61 -20.84 42.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 74.32 110.909 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.563 ' HG3' HD12 ' A' ' 30' ' ' ILE . 10.4 ptm180 -98.86 -32.64 11.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.873 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.59 -29.99 64.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 51.23 110.925 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.1 mt -54.64 -26.34 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 70.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.34 7.9 24.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 63.54 112.49 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.563 HD12 ' HG3' ' A' ' 26' ' ' ARG . 59.0 mt -116.9 -18.23 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 71.43 111.139 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.78 0.36 22.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 75.32 110.901 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.84 155.53 1.96 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.629 0.728 . . . . 74.34 110.84 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -46.66 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.266 . . . . 74.03 112.331 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -52.77 -27.64 18.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 75.51 110.853 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -45.42 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.88 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -30.52 70.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 64.54 110.847 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.32 -33.3 49.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.878 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -82.09 -22.61 36.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 74.22 110.895 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -22.37 22.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 74.41 110.901 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -47.95 39.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 75.24 110.923 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -24.74 63.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.951 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.6 -28.86 23.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 51.31 111.104 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.9 -23.4 27.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 55.51 111.095 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -68.58 -35.14 76.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.13 110.903 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 41.24 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 72.52 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.68 171.42 19.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 52.21 110.87 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.445 ' HG3' HD12 ' A' ' 4' ' ' LEU . 4.2 ptpp? -53.61 -36.06 61.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.861 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.445 HD12 ' HG3' ' A' ' 3' ' ' LYS . 6.1 mp -110.07 44.41 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 70.53 110.942 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -56.64 -26.88 57.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 60.13 110.872 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tt -113.23 -52.3 2.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 74.31 110.912 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -54.79 -27.3 40.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 64.12 110.883 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.85 -51.82 2.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.765 . . . . 71.21 112.498 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -55.59 -26.4 43.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.88 0.371 . . . . 71.33 110.907 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -52.09 -53.13 46.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 64.01 110.856 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.91 -28.54 62.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 63.12 110.897 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.9 t -78.85 -42.16 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.11 111.158 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -25.63 50.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 64.24 110.883 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -86.31 -36.2 19.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 73.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 19' ' ' VAL . 3.0 mt -52.56 -38.98 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 74.35 110.901 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.29 -65.6 3.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 65.33 112.51 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.1 t -51.98 -31.58 29.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 64.43 110.866 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.76 -52.52 29.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 64.42 110.89 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 15' ' ' LEU . 30.4 t -54.27 -27.38 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.151 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.2 ttm -82.46 -37.64 25.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 61.43 110.893 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.98 -30.67 69.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 63.31 110.891 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -78.88 -35.27 43.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 52.52 110.923 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.14 -23.4 32.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 62.34 110.917 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.36 -26.23 42.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.874 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -84.95 -28.56 25.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 70.33 110.926 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.02 -29.85 20.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 71.25 110.832 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -58.42 -44.8 89.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 75.34 110.82 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.6 mm -56.35 -26.0 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 62.01 111.153 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.57 -24.58 45.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.772 -0.728 . . . . 43.41 112.471 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.8 mt -95.4 -13.08 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 74.1 111.116 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.7 -0.24 18.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.903 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.63 155.89 1.75 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.578 0.704 . . . . 65.34 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -46.49 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 2.255 . . . . 73.21 112.369 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -53.1 -27.47 20.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.938 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.69 -33.74 35.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 73.51 110.829 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -41.11 94.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.891 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -70.09 -32.33 70.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 71.51 110.855 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.42 -22.83 35.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.33 110.885 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.0 tp -89.11 -22.61 22.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 72.23 110.94 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 tt -76.71 -39.97 50.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 72.13 110.939 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -25.05 59.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 64.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.97 -33.86 19.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 61.4 111.116 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.16 38.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 44.34 111.072 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -76.84 -26.15 53.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 72.43 110.849 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 44.15 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 52.51 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.85 -176.4 3.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.929 0.395 . . . . 74.24 110.863 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.63 -35.19 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 53.32 110.935 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.64 -27.7 66.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.918 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.92 -26.12 61.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 64.25 110.975 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -118.01 -65.04 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 33.11 110.916 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -57.77 -28.12 63.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 74.52 110.906 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.32 -31.33 16.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 62.32 112.481 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.74 -26.46 65.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.86 0.362 . . . . 73.11 110.865 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -52.32 -53.38 45.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 51.31 110.844 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -26.14 58.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 64.05 110.858 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.2 t -82.29 -40.37 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 73.32 111.14 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.93 -25.56 43.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 62.21 110.82 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -80.86 -44.68 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.848 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.7 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -58.02 -34.26 69.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 64.41 110.972 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.77 -57.26 16.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 63.21 112.488 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.5 p -57.15 -31.57 65.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 52.31 110.863 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.28 -51.13 26.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 44.52 110.921 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 15' ' ' LEU . 21.9 t -59.08 -23.94 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 62.02 111.16 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.9 ttm -87.33 -36.46 17.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.917 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -72.36 -27.3 62.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 74.44 110.883 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -81.92 -33.43 30.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 65.54 110.912 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.73 -22.28 27.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.898 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -78.37 -28.21 47.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 64.33 110.881 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.512 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -82.2 -24.85 34.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 73.44 110.907 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -25.74 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.855 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.73 -28.69 67.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 71.04 110.848 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 25' ' ' LEU . 10.8 mt -56.27 -26.29 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 74.25 111.088 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.86 2.57 58.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 53.12 112.489 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 30' ' ' ILE . 19.3 mt -121.15 -7.33 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 63.1 111.147 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.04 -0.25 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 71.22 110.868 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.79 156.53 1.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.608 0.718 . . . . 73.51 110.875 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -45.72 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 50.43 112.335 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -54.5 -25.51 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 63.14 110.898 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -29.0 49.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 63.24 110.859 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -55.98 24.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 62.25 110.915 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.0 ptt180 -64.51 -20.24 66.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 74.24 110.82 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.84 -26.3 24.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 54.33 110.879 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 tp -94.55 -18.81 21.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 75.15 110.934 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mt -79.95 -40.37 28.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 70.3 110.903 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -76.71 -23.22 53.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 72.21 110.896 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.21 -36.34 16.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 71.25 111.11 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.62 -33.02 62.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 40.53 111.105 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -26.44 66.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 74.42 110.849 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 5.34 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 64.45 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.49 -27.83 11.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.952 0.406 . . . . 70.22 110.878 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -30.23 28.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 60.3 110.942 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.75 36.94 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 64.13 110.939 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 pp -58.09 -28.64 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.896 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mp -72.96 -37.02 67.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 75.25 110.895 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -65.75 -27.57 68.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 65.43 110.87 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.2 -44.02 7.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 71.33 112.45 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -74.46 -27.1 60.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 72.13 110.866 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -52.03 -52.69 49.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.864 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.22 -27.46 62.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 62.01 110.9 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -79.94 -42.57 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 54.04 111.153 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -26.09 41.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 70.22 110.868 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -89.71 -32.7 16.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 71.42 110.858 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -65.53 -47.23 76.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.898 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.02 -47.59 59.84 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 65.04 112.466 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.4 m -68.96 -12.78 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.906 0.384 . . . . 54.43 110.833 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.79 -47.8 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.55 110.856 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 15' ' ' LEU . 26.6 t -55.37 -29.47 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 74.21 111.131 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.1 ptm -79.03 -33.94 44.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 73.1 110.904 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.95 -34.7 71.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.93 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -77.64 -27.36 51.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 71.3 110.92 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.3 -29.68 30.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 73.23 110.922 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -77.48 -25.77 50.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.87 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.01 -25.69 34.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 72.23 110.938 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -90.56 -32.12 16.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 61.3 110.914 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -53.16 -48.88 67.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.827 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.8 mm -55.14 -26.04 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.1 111.145 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.56 -26.45 38.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 75.02 112.467 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.0 mt -93.25 -12.66 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 74.23 111.122 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.12 -0.09 18.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.14 110.832 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.6 155.83 1.75 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.646 0.736 . . . . 74.41 110.855 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -46.64 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 62.35 112.357 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -52.99 -27.49 19.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 74.3 110.909 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -42.48 62.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 64.21 110.847 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -35.5 80.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 54.04 110.893 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -74.43 -32.74 62.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 72.11 110.878 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.39 -22.63 35.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 65.44 110.893 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 tp -89.4 -22.53 22.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 73.4 110.863 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.3 tp -73.12 -47.67 42.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.907 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -69.79 -24.81 63.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 61.51 110.92 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.88 -28.61 22.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 63.51 111.091 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.94 -23.48 26.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 71.5 111.108 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -68.61 -35.02 76.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 72.23 110.874 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 1.53 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 . . . . . . . . 65.42 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.7 -28.39 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.962 0.411 . . . . 61.44 110.891 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.98 -40.96 67.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 73.15 110.956 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.86 -31.93 70.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 73.4 110.904 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.98 -37.84 33.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.909 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.3 mp -57.65 -41.0 80.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 65.15 110.911 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -67.07 -27.18 67.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.876 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.42 -36.35 12.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 64.43 112.472 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -26.45 65.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 75.43 110.862 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -52.09 -47.55 65.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 75.23 110.878 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -62.19 -30.76 71.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 42.4 110.881 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.5 t -76.51 -42.97 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 54.41 111.15 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -25.78 43.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 54.11 110.841 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -86.35 -34.73 20.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 72.34 110.857 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.537 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -56.64 -47.73 79.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 71.11 110.929 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.62 -45.28 68.3 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 70.43 112.509 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -13.47 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 74.53 110.825 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.72 -47.46 7.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 72.03 110.923 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 15' ' ' LEU . 31.7 t -55.76 -29.37 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 72.32 111.164 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -79.11 -33.95 43.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 75.15 110.865 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.95 -34.65 71.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.412 . . . . 73.35 110.886 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -77.73 -27.44 50.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.926 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.37 -29.47 30.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 62.03 110.891 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -77.24 -25.76 51.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 71.32 110.865 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -82.83 -25.88 32.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 73.04 110.908 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.528 ' O ' HD12 ' A' ' 30' ' ' ILE . 19.5 ptp180 -91.09 -32.19 15.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.859 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -52.34 -49.19 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 63.31 110.837 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.7 mm -55.14 -26.03 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.42 111.166 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.61 -25.12 36.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 40.12 112.499 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 26' ' ' ARG . 3.4 mt -91.12 -18.13 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 74.35 111.111 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.57 0.38 22.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 34.14 110.856 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.52 155.44 1.84 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 73.15 110.873 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -46.76 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 64.4 112.363 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -52.66 -27.57 17.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 63.43 110.951 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.52 -44.4 62.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 70.34 110.876 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.498 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.5 mtp85 -61.41 -32.23 72.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 60.41 110.872 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -76.87 -33.47 57.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 70.13 110.885 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -81.49 -22.99 37.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.915 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -89.59 -22.26 22.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 72.41 110.962 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -71.11 -52.11 21.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 72.52 110.897 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.11 -24.24 65.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 70.04 110.95 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.35 -35.57 23.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 62.21 111.088 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.67 -23.16 34.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 64.43 111.13 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.83 -26.09 53.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 72.54 110.857 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 31.33 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 33.41 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.62 -174.67 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.383 . . . . 73.1 110.902 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -82.56 -31.18 29.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 73.15 110.888 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 pp -77.21 -34.49 56.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 70.33 110.904 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.36 -27.23 65.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.929 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.38 -45.94 68.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.914 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.36 -28.24 41.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 73.44 110.903 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.38 -35.7 5.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.762 . . . . 60.41 112.452 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HA ' HG12 ' A' ' 12' ' ' VAL . 73.6 t80 -71.63 -16.52 62.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 75.34 110.906 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -80.59 -24.31 39.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 44.03 110.829 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.63 -32.28 16.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 74.44 110.885 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' A' ' 9' ' ' PHE . 9.8 p -74.89 -26.93 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.23 111.106 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.49 -24.71 65.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 70.32 110.841 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -79.76 -35.32 38.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 65.13 110.932 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.634 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -55.05 -47.7 74.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 62.45 110.931 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.21 -47.5 55.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.68 -0.771 . . . . 61.02 112.526 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.82 -11.84 60.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 72.52 110.827 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -89.63 -43.33 10.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.42 110.898 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 15' ' ' LEU . 23.1 t -56.57 -30.7 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 51.24 111.105 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.5 ptm -77.88 -32.86 52.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.916 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -71.75 -31.41 66.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 61.14 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.436 ' HA ' HD23 ' A' ' 25' ' ' LEU . 25.4 pt-20 -81.32 -27.91 34.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 73.1 110.938 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.55 -18.91 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 55.44 110.922 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -82.85 -29.33 29.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 72.14 110.852 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 22' ' ' GLU . 1.6 pp -81.44 -24.71 36.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 63.3 110.898 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 -33.2 15.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.876 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -40.87 74.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.88 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.8 mm -54.57 -26.45 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 53.34 111.12 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.15 -22.65 37.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 73.4 112.487 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 30' ' ' ILE . 28.6 mt -93.13 -11.27 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 73.53 111.09 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.8 -0.34 17.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.53 110.827 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.86 155.9 1.85 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.62 0.724 . . . . 70.03 110.862 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -46.36 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 74.34 112.381 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -53.28 -27.23 21.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 72.42 110.916 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.88 -49.23 63.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 74.12 110.847 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -24.53 59.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.873 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.52 -32.46 25.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 52.11 110.903 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -83.71 -21.89 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.913 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.86 -22.61 21.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.88 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.9 tp -72.74 -48.44 38.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 73.35 110.919 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -69.34 -24.78 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.963 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.84 -30.09 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.44 111.115 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.77 -23.53 29.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 53.13 111.099 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.58 -35.07 76.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 74.01 110.884 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 64.52 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 62.03 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.37 170.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.983 0.42 . . . . 44.41 110.825 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -51.88 -46.11 64.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 70.23 110.916 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp 50.14 36.76 12.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 55.3 110.957 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.92 -30.48 9.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 72.2 110.91 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.9 -32.45 74.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.91 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -74.85 -28.0 60.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 71.14 110.878 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.57 -33.87 26.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 75.14 112.466 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -26.39 63.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.377 . . . . 75.23 110.922 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -51.99 -56.62 13.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 73.22 110.859 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.25 -27.88 37.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.894 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.9 t -79.6 -41.66 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.094 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -26.1 40.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 74.41 110.878 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -81.74 -43.94 17.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 73.15 110.849 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.734 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -55.51 -31.6 62.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.913 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.12 -49.98 72.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 65.02 112.492 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -65.05 -15.34 62.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 71.25 110.848 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.33 -46.97 7.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.903 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 15' ' ' LEU . 57.7 t -55.94 -29.46 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 72.41 111.168 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.3 ptm -79.05 -33.52 44.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 71.02 110.847 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.9 -33.4 68.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 55.52 110.884 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -78.48 -27.67 46.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 73.43 110.883 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -91.06 -18.2 24.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 75.22 110.934 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -83.93 -29.19 27.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.879 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 26' ' ' ARG . 4.6 pp -86.42 -23.07 26.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.44 110.921 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.472 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -95.7 25.16 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 75.42 110.9 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -130.79 -48.04 1.04 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 62.1 110.879 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.0 mt -56.06 -26.15 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 73.43 111.074 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.47 -22.02 45.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.76 . . . . 52.43 112.477 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 mt -95.47 -12.37 8.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.845 0.355 . . . . 75.54 111.105 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.35 -0.06 17.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 64.24 110.821 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.61 155.87 1.74 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.592 0.71 . . . . 73.11 110.868 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -46.63 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 64.51 112.346 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -27.43 19.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 75.01 110.933 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.8 -37.33 51.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 75.54 110.832 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -65.22 -38.16 89.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 74.12 110.874 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -72.47 -31.68 65.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.51 110.915 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 -22.3 32.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 62.52 110.916 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 tp -88.96 -22.93 22.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 60.14 110.921 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.1 tp -72.45 -48.4 41.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.928 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -69.08 -24.95 64.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.923 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.74 -29.52 22.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 41.22 111.059 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.61 -21.77 32.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 70.34 111.135 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -67.26 -36.65 82.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 71.13 110.874 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 3.21 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 . . . . . . . . 75.13 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.15 176.66 11.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.399 . . . . 72.2 110.847 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.02 8.51 32.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.505 . . . . 75.53 110.893 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.04 -37.48 13.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 64.15 110.939 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.12 -38.87 80.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 64.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -50.23 73.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.932 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.29 -27.28 68.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 73.12 110.925 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.6 -29.23 49.25 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.732 . . . . 54.41 112.523 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.28 -26.39 23.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.362 . . . . 53.54 110.885 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -52.09 -51.3 58.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 63.22 110.897 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.526 ' O ' HD23 ' A' ' 15' ' ' LEU . 20.5 t0 -58.1 -26.13 62.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 72.43 110.87 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.1 t -82.62 -43.15 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 64.05 111.14 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -25.74 43.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 63.24 110.852 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -87.37 -41.24 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 64.45 110.945 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 11' ' ' ASP . 1.7 mm? -59.51 -35.06 73.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.94 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.13 -36.97 94.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 73.52 112.491 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.3 p -81.04 -34.79 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.363 . . . . 75.04 110.823 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -72.5 -39.72 67.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 63.34 110.908 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.33 -25.05 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 54.31 111.143 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.2 ttp -84.66 -35.1 22.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 72.42 110.874 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.15 -32.96 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 65.14 110.927 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.2 -34.59 49.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 62.13 110.893 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.51 -22.69 34.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 73.22 110.927 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -79.72 -26.05 40.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 71.51 110.877 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -84.46 -31.95 24.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.881 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.71 -27.71 31.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 43.34 110.87 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -64.2 -42.92 96.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.852 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.2 mt -55.27 -26.22 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 73.23 111.121 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.39 -25.82 41.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 61.44 112.489 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.7 mt -93.75 -13.18 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.854 0.359 . . . . 55.21 111.131 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.58 -0.19 18.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 63.2 110.91 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.62 155.88 1.74 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 61.14 110.913 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -46.4 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.699 2.266 . . . . 61.43 112.343 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -53.12 -27.5 21.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 72.52 110.882 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -36.03 45.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 65.22 110.838 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -65.25 -39.24 92.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 71.4 110.859 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -71.6 -31.81 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -83.31 -22.48 32.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 62.33 110.876 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tp -88.93 -22.89 22.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 72.52 110.956 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.88 -47.6 44.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.901 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -69.54 -25.01 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.873 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.91 -28.68 22.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.21 111.097 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.34 -23.51 28.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 53.14 111.127 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -68.63 -35.05 76.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.84 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 43.55 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 54.22 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -113.51 -74.72 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.974 0.416 . . . . 71.13 110.852 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -34.61 62.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 71.45 110.91 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.16 -26.44 60.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 75.21 110.935 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.98 -26.7 38.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 73.3 110.935 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -43.36 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 72.25 110.939 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -55.96 -28.3 56.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.12 110.884 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -89.56 -37.62 6.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 63.33 112.514 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.508 ' HA ' HG12 ' A' ' 12' ' ' VAL . 58.9 t80 -68.29 -16.32 63.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 75.02 110.93 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -24.91 40.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 64.42 110.846 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.57 -33.49 16.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 75.33 110.831 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 9' ' ' PHE . 9.9 p -73.43 -28.59 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 75.15 111.107 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -25.05 67.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 71.03 110.871 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -82.74 -37.63 24.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 73.42 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.723 ' O ' HG23 ' A' ' 19' ' ' VAL . 16.3 tp -55.25 -36.06 65.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.933 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.78 -65.17 3.72 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 64.01 112.48 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -34.09 42.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 72.31 110.861 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.08 -52.53 40.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 74.43 110.909 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 15' ' ' LEU . 65.6 t -51.29 -30.77 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 70.34 111.105 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.2 ttp -76.07 -34.8 59.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 42.54 110.854 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.62 -31.38 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.896 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.494 ' HA ' HD23 ' A' ' 25' ' ' LEU . 5.6 mm-40 -80.09 -30.98 39.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 73.23 110.913 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.07 -22.97 25.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 71.31 110.869 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -77.82 -31.18 51.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 51.41 110.799 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 22' ' ' GLU . 1.5 pp -78.18 -17.67 56.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 74.43 110.911 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -104.21 -32.1 9.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 54.31 110.904 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -51.31 -36.1 41.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 72.12 110.855 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.7 mt -52.16 -26.78 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 74.24 111.151 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.9 -15.61 30.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 33.22 112.516 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 30' ' ' ILE . 11.6 mt -100.92 2.77 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 73.44 111.157 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.75 0.92 8.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 55.54 110.868 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.18 155.11 1.76 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.61 0.719 . . . . 73.23 110.862 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 -24.17 29.67 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.241 . . . . 73.13 112.374 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -78.73 -2.07 37.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.9 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.45 -45.65 15.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.875 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -34.21 77.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 71.21 110.866 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.12 -24.37 43.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.868 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -89.88 -21.49 22.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 71.22 110.938 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.2 tp -91.34 -22.17 20.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.925 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -57.3 6.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 72.33 110.931 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -67.0 -23.15 65.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.948 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.01 -30.34 31.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 61.53 111.076 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.37 -23.45 22.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.087 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.55 -35.16 77.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 70.25 110.871 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 24.42 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 61.43 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.79 179.3 8.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.9 0.381 . . . . 72.51 110.905 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.21 8.57 41.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 63.02 110.884 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 tp -114.25 27.04 9.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 75.15 110.939 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -95.6 -31.05 13.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 64.43 110.906 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -55.03 14.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 74.44 110.908 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -57.21 -28.41 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.882 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.47 -22.23 41.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 75.21 112.441 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HA ' HG12 ' A' ' 12' ' ' VAL . 52.6 t80 -81.5 -16.75 50.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.347 . . . . 74.02 110.882 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -80.59 -24.35 39.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 64.23 110.894 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.6 -32.18 16.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 73.21 110.856 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' A' ' 9' ' ' PHE . 9.8 p -75.01 -27.94 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 73.32 111.143 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.29 -25.63 67.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 74.01 110.835 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -87.25 -40.82 14.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.894 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -57.89 -31.43 66.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 71.44 110.862 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.36 -36.97 79.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 71.31 112.482 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -83.79 -18.69 36.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 74.4 110.879 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -90.95 -36.78 13.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 62.24 110.906 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 p -61.52 -28.54 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 51.43 111.092 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -74.84 -34.39 62.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.861 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.578 ' OE2' HD13 ' A' ' 25' ' ' LEU . 8.7 tp10 -68.4 -43.73 76.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.428 . . . . 75.43 110.906 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -69.38 -27.34 65.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 62.14 110.881 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -37.17 46.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 75.53 110.908 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.91 -19.19 57.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 73.5 110.89 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.578 HD13 ' OE2' ' A' ' 21' ' ' GLU . 1.1 tp -87.28 -24.19 24.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.891 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -29.34 18.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.868 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.9 -36.93 85.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.03 110.887 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.0 mt -54.77 -26.17 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.121 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.09 -20.7 32.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 64.02 112.485 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.4 mt -91.87 -16.42 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 71.35 111.115 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.12 0.1 21.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 74.51 110.902 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.77 155.55 1.92 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 63.22 110.913 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -46.52 1.19 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.68 2.254 . . . . 52.54 112.359 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -52.86 -27.23 17.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 73.32 110.953 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.8 -38.84 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 65.15 110.872 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -32.35 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.865 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.75 -33.49 58.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 64.34 110.897 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -81.3 -23.11 38.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 63.32 110.895 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 tp -89.69 -22.17 22.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 74.44 110.877 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -51.88 21.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.882 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.22 -24.29 64.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 71.33 110.896 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.48 -37.55 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 54.03 111.082 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.35 -23.13 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 53.33 111.103 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -26.25 54.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.896 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 4.1 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 53.34 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.4 m -133.01 166.95 21.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.939 0.4 . . . . 75.13 110.886 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -31.04 66.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 51.24 110.926 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.35 -32.95 74.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 64.51 110.917 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.86 -39.2 90.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.934 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.07 -30.65 71.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 74.51 110.921 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -73.48 -26.84 61.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.878 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.37 -38.06 9.29 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.696 -0.764 . . . . 71.21 112.448 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.3 -22.65 61.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.352 . . . . 74.44 110.862 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -56.78 -38.7 72.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 55.34 110.844 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.54 -3.68 44.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 75.11 110.844 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.5 t -108.55 -26.06 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.448 . . . . 42.42 111.092 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -14.35 59.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 73.24 110.827 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -91.53 -26.3 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 73.23 110.9 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' ' 19' ' ' VAL . 8.4 tp -74.12 -54.18 8.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.938 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.81 -42.03 52.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 51.34 112.472 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.9 m -68.35 -35.25 77.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 71.32 110.866 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -68.28 -51.66 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.882 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 15' ' ' LEU . 38.2 t -51.77 -29.55 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 74.2 111.132 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.7 ttt -74.1 -40.94 62.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 74.33 110.886 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.523 ' OE1' HD23 ' A' ' 25' ' ' LEU . 4.6 tp10 -62.45 -41.32 98.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 72.52 110.84 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -69.36 -36.09 76.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.879 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -31.74 60.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 64.1 110.937 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -78.87 -25.24 43.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 70.51 110.871 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.523 HD23 ' OE1' ' A' ' 21' ' ' GLU . 1.6 mm? -84.39 -23.35 30.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 45.01 110.884 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -93.08 -32.38 14.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.857 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -51.97 -51.24 58.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 62.22 110.849 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.7 mt -54.88 -26.17 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 72.11 111.133 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.09 -26.81 39.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 72.33 112.466 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.6 mt -92.37 -14.63 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 74.42 111.169 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.73 0.06 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 65.14 110.879 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.46 155.67 1.74 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.599 0.714 . . . . 74.44 110.855 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -46.62 1.15 Allowed 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.696 2.264 . . . . 74.21 112.308 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -52.87 -27.47 18.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 52.12 110.945 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.6 -42.48 61.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 70.32 110.88 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -35.41 80.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 70.51 110.868 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -32.53 62.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.857 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -22.62 34.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.919 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.28 -22.55 22.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 62.34 110.932 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.4 tp -72.91 -48.0 40.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.919 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -24.86 63.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 71.44 110.907 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.48 -30.55 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 73.34 111.074 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.04 -23.39 30.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 72.42 111.101 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.68 -35.06 76.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.32 110.863 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 32.43 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 75.21 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.53 174.32 14.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.973 0.416 . . . . 72.21 110.823 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.92 -35.23 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 75.35 110.865 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -96.84 34.23 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 63.23 110.872 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.74 -26.25 65.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 72.1 110.899 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pp -63.24 -28.3 69.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 62.23 110.929 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -82.42 -28.21 31.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 44.52 110.921 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.19 -29.46 25.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 73.53 112.451 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -75.2 -26.31 58.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.366 . . . . 65.4 110.899 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -50.18 61.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 63.34 110.912 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.0 -26.09 65.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.862 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -82.31 -39.33 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 50.21 111.114 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -25.73 43.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.841 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -84.95 -38.12 19.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 61.14 110.835 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.751 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -51.91 -41.27 61.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 73.14 110.94 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.05 -66.54 2.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 55.44 112.516 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -33.18 39.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 73.53 110.852 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.99 -52.9 45.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 75.33 110.873 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 15' ' ' LEU . 39.8 t -50.92 -30.55 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.23 111.123 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.5 ttm -77.88 -36.36 49.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 70.33 110.87 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.14 -25.67 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 74.51 110.868 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.02 -33.41 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 74.24 110.876 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.34 -23.04 26.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.927 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -76.93 -31.21 56.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 64.03 110.86 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.57 -24.84 49.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 70.43 110.883 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -95.13 -32.24 13.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 55.12 110.843 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.99 -36.4 62.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 73.2 110.853 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.3 mm -54.69 -26.27 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 70.42 111.145 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.16 -19.13 31.56 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.714 -0.755 . . . . 53.23 112.508 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 30' ' ' ILE . 16.0 mt -96.32 -4.7 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.351 . . . . 42.23 111.076 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.06 -0.3 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 31.31 110.874 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.57 157.1 1.34 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 63.3 110.91 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.94 1.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.718 2.279 . . . . 42.45 112.381 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -54.59 -25.91 29.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 62.24 110.9 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.61 -27.49 39.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 72.54 110.856 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -74.28 -31.86 62.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 71.03 110.839 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -77.52 -29.0 52.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.834 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.1 -22.29 25.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 64.33 110.86 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 tp -86.03 -25.2 26.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.872 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -70.74 -48.17 55.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 70.23 110.909 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -67.86 -25.84 65.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 73.23 110.912 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.56 -29.85 22.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 71.35 111.061 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.49 -23.46 32.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.31 111.116 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -68.6 -35.08 76.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 71.34 110.845 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 34.33 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 51.25 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 58.56 176.94 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.968 0.413 . . . . 75.4 110.874 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -51.87 -43.77 63.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 73.25 110.911 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 50.18 36.07 11.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.944 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.49 -37.47 8.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 70.15 110.897 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.63 -45.74 92.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 63.35 110.914 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -61.19 -28.37 69.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.9 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.63 -31.65 17.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.747 -0.739 . . . . 54.25 112.471 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.502 ' HA ' HG12 ' A' ' 12' ' ' VAL . 66.9 t80 -77.34 -16.27 58.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.901 0.381 . . . . 51.51 110.918 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.17 -25.22 39.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 73.22 110.851 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.17 -33.48 17.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 43.11 110.861 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.502 HG12 ' HA ' ' A' ' 9' ' ' PHE . 10.0 p -73.26 -28.59 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 62.24 111.066 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.01 -24.25 66.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 63.3 110.849 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -87.79 -34.13 18.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 64.22 110.851 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.708 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -54.55 -44.99 73.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 61.51 110.886 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.63 -64.75 3.82 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 75.41 112.488 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.15 -30.26 25.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 43.3 110.861 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -51.87 23.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 61.44 110.876 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 15' ' ' LEU . 24.9 t -56.49 -26.06 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 73.15 111.125 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.6 ttp -84.57 -38.53 19.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 41.44 110.872 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.24 -27.89 64.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 64.52 110.895 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -80.95 -33.84 33.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.12 110.881 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.11 -25.45 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 71.03 110.941 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -76.89 -24.3 52.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 73.2 110.864 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -80.81 -24.07 38.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 74.03 110.905 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.71 -30.49 15.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 64.43 110.9 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.71 -34.59 74.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 65.25 110.872 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.3 mt -54.9 -26.21 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 72.24 111.134 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.97 -20.76 32.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 75.43 112.52 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 30' ' ' ILE . 17.0 mt -96.34 -5.43 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 71.5 111.142 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.77 1.06 12.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.832 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.66 159.87 0.51 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.611 0.719 . . . . 74.33 110.891 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -44.37 2.15 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.736 2.291 . . . . 71.33 112.328 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -22.31 20.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 60.24 110.891 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -66.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 72.44 110.895 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -19.97 44.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 62.44 110.875 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -84.59 -33.97 23.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 73.41 110.872 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.56 -18.2 28.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 52.14 110.885 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 tp -94.51 -21.16 19.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.04 110.912 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 tt -76.63 -43.16 39.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 62.34 110.947 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -73.2 -24.34 60.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 73.04 110.899 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.31 -28.21 21.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.04 111.07 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.24 -23.16 32.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 70.32 111.124 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -66.91 -36.34 82.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.893 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 62.54 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 60.11 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.06 -173.83 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.949 0.404 . . . . 74.22 110.827 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.48 ' C ' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -81.63 -28.58 33.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 71.01 110.908 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.48 HD23 ' C ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 43.25 34.28 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 73.22 110.901 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -28.05 63.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 62.33 110.936 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -80.24 -40.41 27.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 73.24 110.925 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -61.29 -28.18 69.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 74.3 110.894 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -89.51 -33.92 8.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 43.12 112.501 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.494 ' HA ' HG12 ' A' ' 12' ' ' VAL . 60.9 t80 -71.46 -16.32 62.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 64.21 110.871 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.14 -25.31 39.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 55.42 110.841 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.2 -33.42 17.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 72.23 110.878 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 9' ' ' PHE . 10.0 p -73.24 -28.57 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 75.32 111.122 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.01 -24.28 66.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 65.43 110.843 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -87.76 -28.8 21.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 70.02 110.889 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.676 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -65.75 -36.75 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 73.35 110.888 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.42 -60.0 9.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 74.21 112.512 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.9 m -53.18 -29.03 29.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.939 0.4 . . . . 74.12 110.899 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.12 -45.18 27.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 63.2 110.856 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 15' ' ' LEU . 96.2 t -62.4 -23.67 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 64.2 111.152 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.1 ttm -82.97 -39.44 21.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.885 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.4 -30.93 70.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.02 110.885 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.468 ' HA ' HD23 ' A' ' 25' ' ' LEU . 19.6 pt-20 -78.58 -35.12 46.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.88 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.72 -16.83 40.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 73.23 110.921 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -89.26 -21.06 23.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 51.32 110.846 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 22' ' ' GLU . 0.8 OUTLIER -93.75 -24.04 17.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.931 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.5 ptt85 -92.36 -31.27 15.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.51 110.879 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.74 -34.22 77.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 74.21 110.867 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.7 mt -64.87 -25.49 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.155 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.65 3.06 45.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 73.23 112.452 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.1 mt -117.76 -21.43 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 74.44 111.14 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.78 1.47 22.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 64.33 110.876 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.5 155.86 1.69 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.7 . . . . 61.23 110.887 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -46.42 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.713 2.275 . . . . 73.13 112.328 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -53.39 -26.48 19.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 34.43 110.897 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -53.58 -28.24 30.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.844 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -56.38 20.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 72.01 110.867 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.3 ptt85 -63.94 -21.64 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 71.24 110.853 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -85.11 -26.82 26.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.862 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.416 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -93.89 -19.21 21.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 70.41 110.924 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -84.94 -28.42 25.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 51.4 110.896 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -84.82 -22.94 29.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.23 110.933 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -93.24 -27.83 16.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.41 111.136 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.08 -22.89 38.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.41 111.106 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -66.93 -36.47 82.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.859 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 31.22 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 34.44 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.8 -28.98 15.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.893 0.377 . . . . 72.54 110.803 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -33.0 66.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 71.35 110.936 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 57.6 20.17 6.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.23 110.892 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp 46.08 33.04 1.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 61.22 110.891 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.78 -34.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 71.3 110.885 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -72.74 -32.69 65.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.876 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -99.54 -37.13 4.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 44.03 112.516 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.473 ' HA ' HG12 ' A' ' 12' ' ' VAL . 1.1 t80 -71.37 -9.47 58.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 75.32 110.901 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -76.41 -36.89 57.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 44.33 110.845 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.89 -43.86 34.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 72.22 110.877 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 9' ' ' PHE . 9.9 p -62.62 -25.05 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 63.45 111.185 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -22.8 61.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 74.54 110.907 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -95.74 -27.21 15.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 71.02 110.926 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 mt -67.57 -34.1 76.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 74.23 110.898 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.98 -39.97 97.79 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 70.25 112.489 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.06 -34.92 57.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 72.02 110.846 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -72.19 -49.56 34.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 62.43 110.862 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.5 p -53.72 -27.5 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.51 111.142 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.6 ttp -74.67 -38.75 62.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.856 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -69.8 -29.39 66.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.91 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' HA ' HD23 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -79.46 -31.68 42.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 61.44 110.845 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.04 -19.06 27.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.03 110.939 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -86.18 -27.27 24.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 70.54 110.857 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -85.04 -22.13 29.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.896 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.499 ' HG3' HD12 ' A' ' 30' ' ' ILE . 29.0 ptt180 -93.1 -32.8 14.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 75.25 110.901 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -61.69 -33.07 73.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 73.54 110.844 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 25' ' ' LEU . 21.4 mt -54.84 -26.06 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.41 111.152 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.22 7.97 24.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 21.34 112.483 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.499 HD12 ' HG3' ' A' ' 26' ' ' ARG . 34.9 mt -116.93 -19.98 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.811 0.338 . . . . 75.22 111.114 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.43 0.51 22.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 64.22 110.885 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.99 155.44 2.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.705 . . . . 55.4 110.896 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -46.67 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 72.41 112.298 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -52.77 -27.29 17.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.91 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.83 -38.97 57.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.837 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -32.33 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 74.5 110.893 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -76.77 -33.5 58.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 74.01 110.897 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -23.07 37.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.86 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -22.17 22.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 73.54 110.926 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -78.24 -37.56 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 54.02 110.877 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -75.69 -24.98 56.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 75.03 110.902 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.84 -47.65 9.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 52.44 111.156 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.91 -23.17 66.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 64.12 111.091 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -76.7 -26.26 54.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 65.52 110.907 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 23.12 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 54.21 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.48 -35.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.938 0.399 . . . . 65.14 110.876 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -54.49 30.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 74.13 110.919 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tp 50.18 39.04 18.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 74.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.72 -28.7 68.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 43.32 110.906 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.7 -52.49 64.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 51.13 110.912 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -55.11 -28.33 51.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.928 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.38 -44.71 12.52 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.694 -0.765 . . . . 64.31 112.519 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.428 ' HA ' HG12 ' A' ' 12' ' ' VAL . 4.5 t80 -71.79 -10.8 60.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 74.5 110.872 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.81 -23.31 29.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.863 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.2 -6.27 48.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.45 110.876 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 9' ' ' PHE . 8.2 p -105.93 -22.21 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 72.14 111.152 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.88 -18.65 43.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.776 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -22.03 25.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 71.34 110.873 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.744 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -57.88 -48.1 80.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 71.55 110.904 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.76 -59.31 10.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.801 -0.714 . . . . 74.23 112.45 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.3 t -53.38 -34.21 56.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 74.24 110.845 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -67.4 -45.73 75.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 62.54 110.852 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 15' ' ' LEU . 21.6 t -61.64 -24.0 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.32 111.141 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.7 ttp -87.31 -36.41 17.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 74.34 110.86 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.31 -27.18 62.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 75.24 110.898 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' HA ' HD23 ' A' ' 25' ' ' LEU . 2.5 pp20? -82.28 -33.0 29.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 70.11 110.927 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.59 -19.81 28.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.03 110.914 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -80.85 -28.04 36.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 73.25 110.903 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 22' ' ' GLU . 1.6 pp -83.06 -25.85 31.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 64.44 110.889 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.23 -30.48 16.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.2 110.871 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -58.53 -40.01 81.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.893 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.6 mm -54.79 -26.26 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 74.12 111.153 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.85 -23.44 35.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.705 -0.759 . . . . 61.41 112.481 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 30' ' ' ILE . 22.8 mt -94.58 -8.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 73.41 111.069 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.16 1.1 14.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 64.25 110.833 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.89 159.48 0.56 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.644 0.735 . . . . 75.42 110.871 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -44.57 2.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 75.33 112.401 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.89 -22.77 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.896 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -66.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 71.35 110.814 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -58.1 -20.48 40.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 74.34 110.854 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -83.81 -34.33 24.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 51.45 110.883 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -88.31 -18.3 28.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.882 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.92 -21.49 19.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 75.01 110.921 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.49 -38.56 40.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 73.2 110.945 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -75.73 -24.52 56.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.898 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.72 -28.25 19.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.128 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.78 -22.8 36.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 74.04 111.138 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 -66.99 -36.4 82.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 70.15 110.887 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 32.34 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 72.44 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -121.55 166.77 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.912 0.387 . . . . 74.43 110.857 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -87.36 -40.24 14.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 74.53 110.903 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 tp -59.76 -26.53 65.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.927 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.72 -34.1 52.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.967 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.6 -41.25 98.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 64.34 110.884 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -63.92 -26.78 68.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 70.31 110.869 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.46 -20.29 30.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.786 -0.721 . . . . 54.43 112.487 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -82.66 -26.35 32.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.891 0.377 . . . . 73.14 110.882 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -52.0 -51.37 57.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 75.33 110.847 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -28.23 66.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 73.4 110.837 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.5 t -79.54 -40.77 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 75.02 111.092 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -25.86 42.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.84 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -85.96 -40.42 15.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 72.52 110.868 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -35.1 75.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 73.32 110.917 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.99 -40.26 97.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 54.53 112.524 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -77.04 -30.92 55.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 73.25 110.872 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.85 -40.93 46.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 71.13 110.876 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.88 -23.86 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 75.33 111.118 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.5 ttt -87.72 -35.22 18.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 73.5 110.877 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.93 -28.88 63.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 72.43 110.912 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' HA ' HD23 ' A' ' 25' ' ' LEU . 2.9 pp20? -81.87 -31.64 31.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 63.45 110.911 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -20.5 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.934 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -79.94 -30.49 39.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 61.53 110.847 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 22' ' ' GLU . 1.8 pp -80.79 -25.12 38.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.02 110.912 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.21 -34.14 13.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 72.3 110.883 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.447 ' HA ' HG12 ' A' ' 30' ' ' ILE . 2.5 t0 -52.36 -40.37 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 61.24 110.888 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.2 mt -56.74 -25.85 22.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 70.54 111.098 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.28 -5.59 72.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 52.22 112.507 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.447 HG12 ' HA ' ' A' ' 27' ' ' ASP . 1.4 mm -99.41 -33.41 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 73.55 111.071 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.08 2.06 39.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 64.53 110.862 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.27 152.17 3.23 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.644 0.735 . . . . 74.43 110.837 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -44.58 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.635 2.223 . . . . 54.44 112.349 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -52.7 -25.4 10.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.91 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -52.93 -27.68 19.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 73.13 110.88 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -57.19 13.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.831 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -18.73 64.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.864 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -88.44 -26.01 22.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.24 110.89 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.98 -18.51 21.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.23 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -77.81 -45.41 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 72.01 110.948 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -74.34 -22.69 59.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.894 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.54 -27.31 22.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 62.25 111.085 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.68 -23.12 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 72.4 111.072 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 mtm-85 -68.35 -35.4 77.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 74.05 110.872 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 52.32 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 62.01 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.439 ' HA ' HD23 ' A' ' 5' ' ' LEU . 4.3 t 71.54 -69.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 73.05 110.86 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.15 -26.62 65.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 62.03 110.859 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 mp -98.82 39.51 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 75.13 110.961 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 2' ' ' SER . 0.5 OUTLIER -78.25 -32.56 49.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.51 110.895 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.48 -45.56 53.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.911 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -56.24 -27.25 54.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 70.4 110.896 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.29 -34.28 8.18 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 62.32 112.451 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.512 ' HA ' HG12 ' A' ' 12' ' ' VAL . 43.6 t80 -70.23 -16.39 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 75.34 110.902 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.11 -25.24 40.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 71.14 110.865 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.2 -33.5 16.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 70.23 110.83 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 9' ' ' PHE . 9.9 p -73.22 -28.58 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 73.41 111.16 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.93 -24.35 66.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.0 110.845 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -92.1 -32.7 15.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 54.21 110.89 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.2 mt -57.8 -34.44 69.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 51.05 110.92 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.41 -63.59 4.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 74.22 112.448 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.1 -30.6 37.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 73.34 110.85 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -51.86 24.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 72.34 110.888 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 15' ' ' LEU . 24.7 t -56.24 -26.29 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 73.3 111.126 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.1 ttp -84.37 -38.39 20.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 60.4 110.888 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.76 -27.56 64.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 71.35 110.881 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -81.2 -33.05 33.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.468 . . . . 71.05 110.907 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.69 -28.28 24.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 70.32 110.907 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -73.13 -28.59 62.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 52.02 110.852 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.26 -21.27 53.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.903 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.0 ptt85 -100.73 -29.1 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.905 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' HA ' HG12 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -51.71 -41.45 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.846 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.4 mm -56.83 -24.84 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 73.33 111.118 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.95 -4.46 69.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 52.42 112.515 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.441 HG12 ' HA ' ' A' ' 27' ' ' ASP . 1.2 mm -101.26 -32.41 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 61.31 111.135 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.24 1.68 39.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 50.52 110.875 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.52 151.89 3.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.529 0.68 . . . . 74.44 110.923 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -44.76 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.66 2.24 . . . . 74.02 112.388 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -52.46 -26.66 13.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 73.35 110.909 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -50.59 -47.76 57.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.859 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -61.48 -30.47 70.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 75.14 110.899 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -78.43 -33.19 48.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 72.41 110.882 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -82.15 -22.65 36.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.883 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.406 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -89.59 -22.38 22.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 73.0 110.931 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 tp -80.64 -31.5 36.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 65.03 110.927 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -79.99 -24.7 40.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.932 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.71 -31.98 15.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 60.3 111.06 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.04 -21.88 56.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 42.44 111.117 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -67.25 -36.58 81.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 73.11 110.858 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 4.14 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.9 t80 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.884 0.373 . . . . 62.43 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 19' ' ' VAL . 7.2 mt -51.96 -37.36 52.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.967 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.28 -65.24 3.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 71.52 112.487 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -31.31 29.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 72.31 110.858 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -52.38 28.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 64.52 110.873 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 15' ' ' LEU . 28.2 t -54.96 -27.01 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 63.2 111.1 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.4 ttp -82.94 -37.61 23.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 63.41 110.876 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.17 -30.38 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 62.22 110.915 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -79.15 -35.2 42.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 72.13 110.866 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.35 -23.46 32.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.96 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -78.87 -26.43 43.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 64.41 110.877 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -84.98 -26.04 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.889 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.1 -27.14 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.55 110.832 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.98 -35.9 82.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 64.34 110.848 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.9 mt -56.44 -26.19 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 64.33 111.181 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.0 -23.42 35.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 75.43 112.462 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 30' ' ' ILE . 21.9 mt -94.74 -9.02 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 61.33 111.137 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.21 -0.53 15.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 41.13 110.845 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.83 156.2 1.73 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.578 0.704 . . . . 71.52 110.883 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -46.41 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.259 . . . . 62.11 112.348 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -53.33 -27.53 23.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 63.13 110.946 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.73 -36.02 45.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 62.02 110.882 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -39.42 92.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 75.21 110.877 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -71.55 -31.74 67.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 65.42 110.866 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -83.38 -22.42 32.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 54.32 110.878 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.99 -22.82 22.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.981 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.94 -49.55 36.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.906 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -68.74 -24.77 64.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 72.45 110.916 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.84 -29.34 23.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 53.42 111.126 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.26 -23.53 26.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 73.21 111.115 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 64.21 110.893 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.869 0.366 . . . . 63.12 110.908 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.4 mt -55.02 -36.91 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 74.2 110.9 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.21 -64.69 3.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.706 -0.759 . . . . 72.43 112.53 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.12 -30.23 25.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 62.2 110.875 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -51.91 23.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 71.34 110.892 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 15' ' ' LEU . 24.3 t -56.54 -26.04 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 53.14 111.13 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.7 ttp -84.7 -38.59 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 64.21 110.906 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -70.43 -27.35 64.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.903 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -81.49 -33.71 31.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 73.44 110.87 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.74 -24.68 26.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 71.34 110.93 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.58 -30.78 57.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 73.4 110.866 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -76.74 -22.68 53.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 75.44 110.918 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -97.31 -32.23 12.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.877 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -52.54 -37.81 58.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.873 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.4 mt -54.93 -26.11 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 65.3 111.129 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.57 -16.24 29.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.701 -0.761 . . . . 72.33 112.492 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.8 mt -93.35 -16.13 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 72.43 111.144 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.22 0.02 21.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 64.4 110.832 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.69 155.61 1.87 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.729 . . . . 74.24 110.885 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -46.58 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.277 . . . . 71.13 112.364 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -52.88 -27.58 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 71.3 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.47 -40.11 58.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 73.53 110.855 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -36.94 85.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 72.55 110.855 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.33 -32.31 64.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 63.14 110.906 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -22.61 34.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.02 110.859 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 tp -89.19 -22.63 22.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.904 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.78 -48.22 40.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.916 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.34 -24.84 63.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 62.54 110.938 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.23 -29.36 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 55.5 111.061 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.7 -23.45 27.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 44.45 111.098 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.896 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.5 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.844 0.354 . . . . 73.55 110.863 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.714 ' O ' HG23 ' A' ' 19' ' ' VAL . 6.4 mt -56.27 -39.82 73.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 52.55 110.95 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.46 -65.34 3.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 41.2 112.478 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.6 m -52.05 -31.19 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 72.25 110.882 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.34 -52.39 27.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 72.22 110.921 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 15' ' ' LEU . 27.7 t -54.81 -27.09 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 55.24 111.166 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.1 ttt -82.78 -38.05 23.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 55.11 110.912 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.2 tt0 -68.86 -31.15 69.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 74.02 110.937 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.02 -35.07 50.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 63.31 110.909 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.62 -26.46 32.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 72.11 110.912 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -78.0 -29.2 49.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.83 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 21' ' ' GLU . 30.4 mt -80.61 -20.84 42.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 74.32 110.909 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.563 ' HG3' HD12 ' A' ' 30' ' ' ILE . 10.4 ptm180 -98.86 -32.64 11.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.873 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.59 -29.99 64.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 51.23 110.925 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.1 mt -54.64 -26.34 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 70.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.34 7.9 24.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 63.54 112.49 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.563 HD12 ' HG3' ' A' ' 26' ' ' ARG . 59.0 mt -116.9 -18.23 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 71.43 111.139 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.78 0.36 22.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 75.32 110.901 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.84 155.53 1.96 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.629 0.728 . . . . 74.34 110.84 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -46.66 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.266 . . . . 74.03 112.331 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -52.77 -27.64 18.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 75.51 110.853 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -45.42 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.88 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -30.52 70.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 64.54 110.847 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.32 -33.3 49.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.878 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -82.09 -22.61 36.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 74.22 110.895 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -22.37 22.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 74.41 110.901 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -47.95 39.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 75.24 110.923 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -24.74 63.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.951 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.6 -28.86 23.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 51.31 111.104 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.9 -23.4 27.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 55.51 111.095 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.13 110.903 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.9 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.931 0.396 . . . . 73.0 110.908 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 19' ' ' VAL . 3.0 mt -52.56 -38.98 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 74.35 110.901 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.29 -65.6 3.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 65.33 112.51 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.1 t -51.98 -31.58 29.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 64.43 110.866 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.76 -52.52 29.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 64.42 110.89 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 15' ' ' LEU . 30.4 t -54.27 -27.38 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.151 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.2 ttm -82.46 -37.64 25.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 61.43 110.893 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.98 -30.67 69.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 63.31 110.891 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -78.88 -35.27 43.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 52.52 110.923 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.14 -23.4 32.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 62.34 110.917 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.36 -26.23 42.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.874 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -84.95 -28.56 25.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 70.33 110.926 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.02 -29.85 20.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 71.25 110.832 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -58.42 -44.8 89.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 75.34 110.82 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.6 mm -56.35 -26.0 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 62.01 111.153 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.57 -24.58 45.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.772 -0.728 . . . . 43.41 112.471 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.8 mt -95.4 -13.08 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 74.1 111.116 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.7 -0.24 18.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.903 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.63 155.89 1.75 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.578 0.704 . . . . 65.34 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -46.49 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 2.255 . . . . 73.21 112.369 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -53.1 -27.47 20.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.938 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.69 -33.74 35.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 73.51 110.829 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -41.11 94.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.891 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -70.09 -32.33 70.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 71.51 110.855 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.42 -22.83 35.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.33 110.885 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.0 tp -89.11 -22.61 22.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 72.23 110.94 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 tt -76.71 -39.97 50.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 72.13 110.939 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -25.05 59.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 64.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.97 -33.86 19.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 61.4 111.116 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.16 38.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 44.34 111.072 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 72.43 110.849 -179.889 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.7 t80 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.85 0.357 . . . . 73.23 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.7 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -58.02 -34.26 69.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 64.41 110.972 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.77 -57.26 16.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 63.21 112.488 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.5 p -57.15 -31.57 65.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 52.31 110.863 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.28 -51.13 26.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 44.52 110.921 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 15' ' ' LEU . 21.9 t -59.08 -23.94 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 62.02 111.16 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.9 ttm -87.33 -36.46 17.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.917 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -72.36 -27.3 62.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 74.44 110.883 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -81.92 -33.43 30.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 65.54 110.912 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.73 -22.28 27.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.898 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -78.37 -28.21 47.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 64.33 110.881 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.512 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -82.2 -24.85 34.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 73.44 110.907 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -25.74 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.855 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.73 -28.69 67.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 71.04 110.848 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 25' ' ' LEU . 10.8 mt -56.27 -26.29 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 74.25 111.088 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.86 2.57 58.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 53.12 112.489 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 30' ' ' ILE . 19.3 mt -121.15 -7.33 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 63.1 111.147 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.04 -0.25 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 71.22 110.868 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.79 156.53 1.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.608 0.718 . . . . 73.51 110.875 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -45.72 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 50.43 112.335 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -54.5 -25.51 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 63.14 110.898 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -29.0 49.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 63.24 110.859 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -55.98 24.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 62.25 110.915 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.0 ptt180 -64.51 -20.24 66.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 74.24 110.82 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.84 -26.3 24.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 54.33 110.879 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 tp -94.55 -18.81 21.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 75.15 110.934 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mt -79.95 -40.37 28.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 70.3 110.903 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -76.71 -23.22 53.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 72.21 110.896 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.21 -36.34 16.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 71.25 111.11 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.62 -33.02 62.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 40.53 111.105 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 74.42 110.849 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.1 t80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.899 0.381 . . . . 71.42 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -65.53 -47.23 76.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.898 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.02 -47.59 59.84 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 65.04 112.466 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.4 m -68.96 -12.78 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.906 0.384 . . . . 54.43 110.833 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.79 -47.8 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.55 110.856 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 15' ' ' LEU . 26.6 t -55.37 -29.47 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 74.21 111.131 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.1 ptm -79.03 -33.94 44.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 73.1 110.904 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.95 -34.7 71.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.93 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -77.64 -27.36 51.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 71.3 110.92 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.3 -29.68 30.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 73.23 110.922 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -77.48 -25.77 50.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.87 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.01 -25.69 34.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 72.23 110.938 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -90.56 -32.12 16.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 61.3 110.914 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -53.16 -48.88 67.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.827 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.8 mm -55.14 -26.04 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.1 111.145 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.56 -26.45 38.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 75.02 112.467 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.0 mt -93.25 -12.66 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 74.23 111.122 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.12 -0.09 18.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.14 110.832 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.6 155.83 1.75 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.646 0.736 . . . . 74.41 110.855 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -46.64 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 62.35 112.357 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -52.99 -27.49 19.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 74.3 110.909 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -42.48 62.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 64.21 110.847 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -35.5 80.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 54.04 110.893 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -74.43 -32.74 62.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 72.11 110.878 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.39 -22.63 35.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 65.44 110.893 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 tp -89.4 -22.53 22.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 73.4 110.863 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.3 tp -73.12 -47.67 42.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.907 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -69.79 -24.81 63.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 61.51 110.92 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.88 -28.61 22.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 63.51 111.091 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.94 -23.48 26.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 71.5 111.108 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 72.23 110.874 -179.903 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.8 t80 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.914 0.388 . . . . 72.34 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.537 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -56.64 -47.73 79.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 71.11 110.929 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.62 -45.28 68.3 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 70.43 112.509 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -13.47 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 74.53 110.825 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.72 -47.46 7.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 72.03 110.923 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 15' ' ' LEU . 31.7 t -55.76 -29.37 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 72.32 111.164 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -79.11 -33.95 43.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 75.15 110.865 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.95 -34.65 71.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.412 . . . . 73.35 110.886 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -77.73 -27.44 50.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.926 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.37 -29.47 30.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 62.03 110.891 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -77.24 -25.76 51.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 71.32 110.865 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -82.83 -25.88 32.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 73.04 110.908 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.528 ' O ' HD12 ' A' ' 30' ' ' ILE . 19.5 ptp180 -91.09 -32.19 15.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.859 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -52.34 -49.19 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 63.31 110.837 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.7 mm -55.14 -26.03 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.42 111.166 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.61 -25.12 36.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 40.12 112.499 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 26' ' ' ARG . 3.4 mt -91.12 -18.13 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 74.35 111.111 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.57 0.38 22.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 34.14 110.856 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.52 155.44 1.84 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 73.15 110.873 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -46.76 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 64.4 112.363 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -52.66 -27.57 17.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 63.43 110.951 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.52 -44.4 62.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 70.34 110.876 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.498 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.5 mtp85 -61.41 -32.23 72.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 60.41 110.872 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -76.87 -33.47 57.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 70.13 110.885 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -81.49 -22.99 37.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.915 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -89.59 -22.26 22.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 72.41 110.962 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -71.11 -52.11 21.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 72.52 110.897 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.11 -24.24 65.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 70.04 110.95 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.35 -35.57 23.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 62.21 111.088 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.67 -23.16 34.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 64.43 111.13 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 72.54 110.857 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.3 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.906 0.384 . . . . 65.13 110.932 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.634 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -55.05 -47.7 74.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 62.45 110.931 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.21 -47.5 55.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.68 -0.771 . . . . 61.02 112.526 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.82 -11.84 60.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 72.52 110.827 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -89.63 -43.33 10.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.42 110.898 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 15' ' ' LEU . 23.1 t -56.57 -30.7 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 51.24 111.105 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.5 ptm -77.88 -32.86 52.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.916 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -71.75 -31.41 66.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 61.14 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.436 ' HA ' HD23 ' A' ' 25' ' ' LEU . 25.4 pt-20 -81.32 -27.91 34.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 73.1 110.938 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.55 -18.91 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 55.44 110.922 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -82.85 -29.33 29.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 72.14 110.852 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 22' ' ' GLU . 1.6 pp -81.44 -24.71 36.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 63.3 110.898 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 -33.2 15.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.876 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -40.87 74.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.88 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.8 mm -54.57 -26.45 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 53.34 111.12 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.15 -22.65 37.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 73.4 112.487 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 30' ' ' ILE . 28.6 mt -93.13 -11.27 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 73.53 111.09 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.8 -0.34 17.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.53 110.827 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.86 155.9 1.85 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.62 0.724 . . . . 70.03 110.862 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -46.36 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 74.34 112.381 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -53.28 -27.23 21.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 72.42 110.916 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.88 -49.23 63.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 74.12 110.847 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -24.53 59.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.873 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.52 -32.46 25.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 52.11 110.903 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -83.71 -21.89 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.913 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.86 -22.61 21.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.88 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.9 tp -72.74 -48.44 38.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 73.35 110.919 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -69.34 -24.78 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.963 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.84 -30.09 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.44 111.115 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.77 -23.53 29.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 53.13 111.099 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 74.01 110.884 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.843 0.354 . . . . 73.15 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.734 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -55.51 -31.6 62.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.913 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.12 -49.98 72.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 65.02 112.492 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -65.05 -15.34 62.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 71.25 110.848 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.33 -46.97 7.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.903 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 15' ' ' LEU . 57.7 t -55.94 -29.46 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 72.41 111.168 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.3 ptm -79.05 -33.52 44.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 71.02 110.847 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.9 -33.4 68.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 55.52 110.884 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -78.48 -27.67 46.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 73.43 110.883 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -91.06 -18.2 24.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 75.22 110.934 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -83.93 -29.19 27.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.879 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 26' ' ' ARG . 4.6 pp -86.42 -23.07 26.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.44 110.921 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.472 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -95.7 25.16 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 75.42 110.9 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -130.79 -48.04 1.04 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 62.1 110.879 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.0 mt -56.06 -26.15 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 73.43 111.074 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.47 -22.02 45.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.76 . . . . 52.43 112.477 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 mt -95.47 -12.37 8.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.845 0.355 . . . . 75.54 111.105 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.35 -0.06 17.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 64.24 110.821 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.61 155.87 1.74 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.592 0.71 . . . . 73.11 110.868 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -46.63 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 64.51 112.346 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -27.43 19.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 75.01 110.933 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.8 -37.33 51.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 75.54 110.832 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -65.22 -38.16 89.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 74.12 110.874 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -72.47 -31.68 65.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.51 110.915 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 -22.3 32.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 62.52 110.916 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 tp -88.96 -22.93 22.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 60.14 110.921 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.1 tp -72.45 -48.4 41.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.928 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -69.08 -24.95 64.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.923 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.74 -29.52 22.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 41.22 111.059 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.61 -21.77 32.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 70.34 111.135 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 71.13 110.874 -179.891 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.8 t80 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.881 0.372 . . . . 64.45 110.945 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.51 -35.06 73.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.94 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.13 -36.97 94.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 73.52 112.491 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.3 p -81.04 -34.79 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.363 . . . . 75.04 110.823 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -72.5 -39.72 67.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 63.34 110.908 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.33 -25.05 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 54.31 111.143 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.2 ttp -84.66 -35.1 22.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 72.42 110.874 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.15 -32.96 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 65.14 110.927 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.2 -34.59 49.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 62.13 110.893 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.51 -22.69 34.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 73.22 110.927 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -79.72 -26.05 40.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 71.51 110.877 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -84.46 -31.95 24.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.881 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.71 -27.71 31.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 43.34 110.87 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -64.2 -42.92 96.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.852 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.2 mt -55.27 -26.22 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 73.23 111.121 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.39 -25.82 41.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 61.44 112.489 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.7 mt -93.75 -13.18 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.854 0.359 . . . . 55.21 111.131 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.58 -0.19 18.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 63.2 110.91 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.62 155.88 1.74 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 61.14 110.913 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -46.4 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.699 2.266 . . . . 61.43 112.343 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -53.12 -27.5 21.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 72.52 110.882 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -36.03 45.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 65.22 110.838 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -65.25 -39.24 92.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 71.4 110.859 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -71.6 -31.81 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -83.31 -22.48 32.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 62.33 110.876 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tp -88.93 -22.89 22.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 72.52 110.956 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.88 -47.6 44.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.901 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -69.54 -25.01 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.873 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.91 -28.68 22.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.21 111.097 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.34 -23.51 28.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 53.14 111.127 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.84 -179.9 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.2 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.925 0.393 . . . . 73.42 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.723 ' O ' HG23 ' A' ' 19' ' ' VAL . 16.3 tp -55.25 -36.06 65.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.933 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.78 -65.17 3.72 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 64.01 112.48 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -34.09 42.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 72.31 110.861 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.08 -52.53 40.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 74.43 110.909 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 15' ' ' LEU . 65.6 t -51.29 -30.77 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 70.34 111.105 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.2 ttp -76.07 -34.8 59.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 42.54 110.854 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.62 -31.38 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.896 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.494 ' HA ' HD23 ' A' ' 25' ' ' LEU . 5.6 mm-40 -80.09 -30.98 39.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 73.23 110.913 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.07 -22.97 25.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 71.31 110.869 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -77.82 -31.18 51.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 51.41 110.799 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 22' ' ' GLU . 1.5 pp -78.18 -17.67 56.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 74.43 110.911 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -104.21 -32.1 9.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 54.31 110.904 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -51.31 -36.1 41.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 72.12 110.855 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.7 mt -52.16 -26.78 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 74.24 111.151 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.9 -15.61 30.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 33.22 112.516 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 30' ' ' ILE . 11.6 mt -100.92 2.77 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 73.44 111.157 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.75 0.92 8.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 55.54 110.868 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.18 155.11 1.76 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.61 0.719 . . . . 73.23 110.862 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 -24.17 29.67 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.241 . . . . 73.13 112.374 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -78.73 -2.07 37.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.9 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.45 -45.65 15.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.875 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -34.21 77.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 71.21 110.866 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.12 -24.37 43.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.868 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -89.88 -21.49 22.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 71.22 110.938 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.2 tp -91.34 -22.17 20.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.925 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -57.3 6.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 72.33 110.931 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -67.0 -23.15 65.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.948 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.01 -30.34 31.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 61.53 111.076 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.37 -23.45 22.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.087 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 70.25 110.871 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.915 0.388 . . . . 73.34 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -57.89 -31.43 66.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 71.44 110.862 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.36 -36.97 79.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 71.31 112.482 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -83.79 -18.69 36.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 74.4 110.879 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -90.95 -36.78 13.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 62.24 110.906 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 p -61.52 -28.54 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 51.43 111.092 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -74.84 -34.39 62.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.861 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.578 ' OE2' HD13 ' A' ' 25' ' ' LEU . 8.7 tp10 -68.4 -43.73 76.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.428 . . . . 75.43 110.906 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -69.38 -27.34 65.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 62.14 110.881 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -37.17 46.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 75.53 110.908 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.91 -19.19 57.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 73.5 110.89 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.578 HD13 ' OE2' ' A' ' 21' ' ' GLU . 1.1 tp -87.28 -24.19 24.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.891 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -29.34 18.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.868 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.9 -36.93 85.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.03 110.887 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.0 mt -54.77 -26.17 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.121 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.09 -20.7 32.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 64.02 112.485 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.4 mt -91.87 -16.42 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 71.35 111.115 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.12 0.1 21.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 74.51 110.902 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.77 155.55 1.92 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 63.22 110.913 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -46.52 1.19 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.68 2.254 . . . . 52.54 112.359 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -52.86 -27.23 17.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 73.32 110.953 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.8 -38.84 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 65.15 110.872 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -32.35 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.865 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.75 -33.49 58.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 64.34 110.897 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -81.3 -23.11 38.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 63.32 110.895 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 tp -89.69 -22.17 22.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 74.44 110.877 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -51.88 21.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.882 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.22 -24.29 64.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 71.33 110.896 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.48 -37.55 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 54.03 111.082 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.35 -23.13 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 53.33 111.103 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.896 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.893 0.378 . . . . 73.23 110.9 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' ' 19' ' ' VAL . 8.4 tp -74.12 -54.18 8.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.938 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.81 -42.03 52.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 51.34 112.472 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.9 m -68.35 -35.25 77.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 71.32 110.866 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -68.28 -51.66 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.882 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 15' ' ' LEU . 38.2 t -51.77 -29.55 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 74.2 111.132 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.7 ttt -74.1 -40.94 62.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 74.33 110.886 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.523 ' OE1' HD23 ' A' ' 25' ' ' LEU . 4.6 tp10 -62.45 -41.32 98.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 72.52 110.84 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -69.36 -36.09 76.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.879 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -31.74 60.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 64.1 110.937 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -78.87 -25.24 43.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 70.51 110.871 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.523 HD23 ' OE1' ' A' ' 21' ' ' GLU . 1.6 mm? -84.39 -23.35 30.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 45.01 110.884 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -93.08 -32.38 14.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.857 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -51.97 -51.24 58.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 62.22 110.849 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.7 mt -54.88 -26.17 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 72.11 111.133 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.09 -26.81 39.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 72.33 112.466 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.6 mt -92.37 -14.63 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 74.42 111.169 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.73 0.06 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 65.14 110.879 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.46 155.67 1.74 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.599 0.714 . . . . 74.44 110.855 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -46.62 1.15 Allowed 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.696 2.264 . . . . 74.21 112.308 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -52.87 -27.47 18.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 52.12 110.945 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.6 -42.48 61.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 70.32 110.88 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -35.41 80.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 70.51 110.868 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -32.53 62.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.857 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -22.62 34.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.919 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.28 -22.55 22.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 62.34 110.932 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.4 tp -72.91 -48.0 40.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.919 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -24.86 63.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 71.44 110.907 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.48 -30.55 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 73.34 111.074 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.04 -23.39 30.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 72.42 111.101 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.32 110.863 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.4 t80 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.898 0.38 . . . . 61.14 110.835 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.751 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -51.91 -41.27 61.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 73.14 110.94 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.05 -66.54 2.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 55.44 112.516 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -33.18 39.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 73.53 110.852 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.99 -52.9 45.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 75.33 110.873 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 15' ' ' LEU . 39.8 t -50.92 -30.55 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.23 111.123 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.5 ttm -77.88 -36.36 49.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 70.33 110.87 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.14 -25.67 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 74.51 110.868 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.02 -33.41 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 74.24 110.876 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.34 -23.04 26.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.927 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -76.93 -31.21 56.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 64.03 110.86 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.57 -24.84 49.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 70.43 110.883 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -95.13 -32.24 13.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 55.12 110.843 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.99 -36.4 62.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 73.2 110.853 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.3 mm -54.69 -26.27 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 70.42 111.145 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.16 -19.13 31.56 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.714 -0.755 . . . . 53.23 112.508 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 30' ' ' ILE . 16.0 mt -96.32 -4.7 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.351 . . . . 42.23 111.076 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.06 -0.3 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 31.31 110.874 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.57 157.1 1.34 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 63.3 110.91 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.94 1.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.718 2.279 . . . . 42.45 112.381 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -54.59 -25.91 29.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 62.24 110.9 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.61 -27.49 39.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 72.54 110.856 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -74.28 -31.86 62.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 71.03 110.839 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -77.52 -29.0 52.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.834 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.1 -22.29 25.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 64.33 110.86 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 tp -86.03 -25.2 26.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.872 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -70.74 -48.17 55.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 70.23 110.909 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -67.86 -25.84 65.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 73.23 110.912 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.56 -29.85 22.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 71.35 111.061 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.49 -23.46 32.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.31 111.116 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 71.34 110.845 -179.901 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.8 t80 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.874 0.368 . . . . 64.22 110.851 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.708 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -54.55 -44.99 73.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 61.51 110.886 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.63 -64.75 3.82 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 75.41 112.488 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.15 -30.26 25.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 43.3 110.861 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -51.87 23.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 61.44 110.876 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 15' ' ' LEU . 24.9 t -56.49 -26.06 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 73.15 111.125 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.6 ttp -84.57 -38.53 19.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 41.44 110.872 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.24 -27.89 64.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 64.52 110.895 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -80.95 -33.84 33.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.12 110.881 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.11 -25.45 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 71.03 110.941 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -76.89 -24.3 52.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 73.2 110.864 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -80.81 -24.07 38.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 74.03 110.905 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.71 -30.49 15.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 64.43 110.9 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.71 -34.59 74.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 65.25 110.872 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.3 mt -54.9 -26.21 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 72.24 111.134 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.97 -20.76 32.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 75.43 112.52 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 30' ' ' ILE . 17.0 mt -96.34 -5.43 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 71.5 111.142 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.77 1.06 12.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.832 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.66 159.87 0.51 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.611 0.719 . . . . 74.33 110.891 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -44.37 2.15 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.736 2.291 . . . . 71.33 112.328 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -22.31 20.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 60.24 110.891 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -66.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 72.44 110.895 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -19.97 44.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 62.44 110.875 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -84.59 -33.97 23.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 73.41 110.872 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.56 -18.2 28.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 52.14 110.885 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 tp -94.51 -21.16 19.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.04 110.912 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 tt -76.63 -43.16 39.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 62.34 110.947 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -73.2 -24.34 60.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 73.04 110.899 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.31 -28.21 21.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.04 111.07 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.24 -23.16 32.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 70.32 111.124 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.893 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.6 t80 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.943 0.401 . . . . 70.02 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.676 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -65.75 -36.75 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 73.35 110.888 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.42 -60.0 9.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 74.21 112.512 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.9 m -53.18 -29.03 29.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.939 0.4 . . . . 74.12 110.899 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.12 -45.18 27.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 63.2 110.856 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 15' ' ' LEU . 96.2 t -62.4 -23.67 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 64.2 111.152 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.1 ttm -82.97 -39.44 21.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.885 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.4 -30.93 70.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.02 110.885 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.468 ' HA ' HD23 ' A' ' 25' ' ' LEU . 19.6 pt-20 -78.58 -35.12 46.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.88 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.72 -16.83 40.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 73.23 110.921 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -89.26 -21.06 23.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 51.32 110.846 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 22' ' ' GLU . 0.8 OUTLIER -93.75 -24.04 17.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.931 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.5 ptt85 -92.36 -31.27 15.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.51 110.879 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.74 -34.22 77.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 74.21 110.867 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.7 mt -64.87 -25.49 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.155 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.65 3.06 45.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 73.23 112.452 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.1 mt -117.76 -21.43 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 74.44 111.14 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.78 1.47 22.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 64.33 110.876 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.5 155.86 1.69 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.7 . . . . 61.23 110.887 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -46.42 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.713 2.275 . . . . 73.13 112.328 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -53.39 -26.48 19.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 34.43 110.897 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -53.58 -28.24 30.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.844 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -56.38 20.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 72.01 110.867 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.3 ptt85 -63.94 -21.64 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 71.24 110.853 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -85.11 -26.82 26.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.862 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.416 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -93.89 -19.21 21.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 70.41 110.924 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -84.94 -28.42 25.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 51.4 110.896 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -84.82 -22.94 29.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.23 110.933 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -93.24 -27.83 16.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.41 111.136 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.08 -22.89 38.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.41 111.106 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.859 -179.909 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.1 t80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.931 0.396 . . . . 71.02 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 mt -67.57 -34.1 76.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 74.23 110.898 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.98 -39.97 97.79 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 70.25 112.489 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.06 -34.92 57.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 72.02 110.846 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -72.19 -49.56 34.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 62.43 110.862 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.5 p -53.72 -27.5 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.51 111.142 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.6 ttp -74.67 -38.75 62.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.856 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -69.8 -29.39 66.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.91 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' HA ' HD23 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -79.46 -31.68 42.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 61.44 110.845 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.04 -19.06 27.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.03 110.939 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -86.18 -27.27 24.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 70.54 110.857 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -85.04 -22.13 29.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.896 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.499 ' HG3' HD12 ' A' ' 30' ' ' ILE . 29.0 ptt180 -93.1 -32.8 14.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 75.25 110.901 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -61.69 -33.07 73.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 73.54 110.844 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 25' ' ' LEU . 21.4 mt -54.84 -26.06 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.41 111.152 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.22 7.97 24.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 21.34 112.483 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.499 HD12 ' HG3' ' A' ' 26' ' ' ARG . 34.9 mt -116.93 -19.98 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.811 0.338 . . . . 75.22 111.114 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.43 0.51 22.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 64.22 110.885 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.99 155.44 2.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.705 . . . . 55.4 110.896 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -46.67 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 72.41 112.298 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -52.77 -27.29 17.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.91 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.83 -38.97 57.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.837 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -32.33 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 74.5 110.893 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -76.77 -33.5 58.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 74.01 110.897 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -23.07 37.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.86 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -22.17 22.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 73.54 110.926 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -78.24 -37.56 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 54.02 110.877 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -75.69 -24.98 56.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 75.03 110.902 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.84 -47.65 9.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 52.44 111.156 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.91 -23.17 66.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 64.12 111.091 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 65.52 110.907 -179.951 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.88 0.371 . . . . 71.34 110.873 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.744 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -57.88 -48.1 80.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 71.55 110.904 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.76 -59.31 10.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.801 -0.714 . . . . 74.23 112.45 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.3 t -53.38 -34.21 56.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 74.24 110.845 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -67.4 -45.73 75.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 62.54 110.852 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 15' ' ' LEU . 21.6 t -61.64 -24.0 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.32 111.141 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.7 ttp -87.31 -36.41 17.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 74.34 110.86 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.31 -27.18 62.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 75.24 110.898 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' HA ' HD23 ' A' ' 25' ' ' LEU . 2.5 pp20? -82.28 -33.0 29.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 70.11 110.927 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.59 -19.81 28.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.03 110.914 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -80.85 -28.04 36.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 73.25 110.903 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 22' ' ' GLU . 1.6 pp -83.06 -25.85 31.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 64.44 110.889 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.23 -30.48 16.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.2 110.871 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -58.53 -40.01 81.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.893 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.6 mm -54.79 -26.26 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 74.12 111.153 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.85 -23.44 35.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.705 -0.759 . . . . 61.41 112.481 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 30' ' ' ILE . 22.8 mt -94.58 -8.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 73.41 111.069 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.16 1.1 14.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 64.25 110.833 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.89 159.48 0.56 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.644 0.735 . . . . 75.42 110.871 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -44.57 2.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 75.33 112.401 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.89 -22.77 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.896 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -66.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 71.35 110.814 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -58.1 -20.48 40.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 74.34 110.854 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -83.81 -34.33 24.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 51.45 110.883 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -88.31 -18.3 28.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.882 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.92 -21.49 19.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 75.01 110.921 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.49 -38.56 40.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 73.2 110.945 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -75.73 -24.52 56.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.898 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.72 -28.25 19.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.128 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.78 -22.8 36.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 74.04 111.138 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 70.15 110.887 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.85 0.357 . . . . 72.52 110.868 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -35.1 75.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 73.32 110.917 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.99 -40.26 97.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 54.53 112.524 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -77.04 -30.92 55.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 73.25 110.872 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.85 -40.93 46.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 71.13 110.876 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.88 -23.86 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 75.33 111.118 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.5 ttt -87.72 -35.22 18.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 73.5 110.877 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.93 -28.88 63.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 72.43 110.912 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' HA ' HD23 ' A' ' 25' ' ' LEU . 2.9 pp20? -81.87 -31.64 31.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 63.45 110.911 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -20.5 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.934 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -79.94 -30.49 39.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 61.53 110.847 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 22' ' ' GLU . 1.8 pp -80.79 -25.12 38.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.02 110.912 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.21 -34.14 13.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 72.3 110.883 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.447 ' HA ' HG12 ' A' ' 30' ' ' ILE . 2.5 t0 -52.36 -40.37 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 61.24 110.888 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.2 mt -56.74 -25.85 22.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 70.54 111.098 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.28 -5.59 72.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 52.22 112.507 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.447 HG12 ' HA ' ' A' ' 27' ' ' ASP . 1.4 mm -99.41 -33.41 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 73.55 111.071 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.08 2.06 39.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 64.53 110.862 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.27 152.17 3.23 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.644 0.735 . . . . 74.43 110.837 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -44.58 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.635 2.223 . . . . 54.44 112.349 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -52.7 -25.4 10.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.91 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -52.93 -27.68 19.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 73.13 110.88 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -57.19 13.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.831 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -18.73 64.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.864 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -88.44 -26.01 22.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.24 110.89 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.98 -18.51 21.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.23 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -77.81 -45.41 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 72.01 110.948 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -74.34 -22.69 59.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.894 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.54 -27.31 22.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 62.25 111.085 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.68 -23.12 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 72.4 111.072 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 mtm-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 74.05 110.872 -179.924 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.6 t80 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.897 0.38 . . . . 54.21 110.89 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.2 mt -57.8 -34.44 69.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 51.05 110.92 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.41 -63.59 4.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 74.22 112.448 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.1 -30.6 37.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 73.34 110.85 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -51.86 24.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 72.34 110.888 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 15' ' ' LEU . 24.7 t -56.24 -26.29 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 73.3 111.126 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.1 ttp -84.37 -38.39 20.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 60.4 110.888 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.76 -27.56 64.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 71.35 110.881 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -81.2 -33.05 33.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.468 . . . . 71.05 110.907 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.69 -28.28 24.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 70.32 110.907 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -73.13 -28.59 62.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 52.02 110.852 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.26 -21.27 53.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.903 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.0 ptt85 -100.73 -29.1 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.905 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.441 ' HA ' HG12 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -51.71 -41.45 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.846 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.4 mm -56.83 -24.84 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 73.33 111.118 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.95 -4.46 69.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 52.42 112.515 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.441 HG12 ' HA ' ' A' ' 27' ' ' ASP . 1.2 mm -101.26 -32.41 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 61.31 111.135 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.24 1.68 39.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 50.52 110.875 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.52 151.89 3.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.529 0.68 . . . . 74.44 110.923 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -44.76 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.66 2.24 . . . . 74.02 112.388 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -52.46 -26.66 13.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 73.35 110.909 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -50.59 -47.76 57.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.859 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -61.48 -30.47 70.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 75.14 110.899 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -78.43 -33.19 48.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 72.41 110.882 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -82.15 -22.65 36.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.883 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.406 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -89.59 -22.38 22.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 73.0 110.931 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 tp -80.64 -31.5 36.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 65.03 110.927 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -79.99 -24.7 40.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.932 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.71 -31.98 15.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 60.3 111.06 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.04 -21.88 56.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 42.44 111.117 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 73.11 110.858 -179.881 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 65.13 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -141.68 153.11 44.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.944 0.402 . . . . 63.11 110.83 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -53.79 52.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 61.41 110.882 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 50.21 38.85 18.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 72.41 110.905 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tt -82.07 -31.46 30.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 51.23 110.93 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.58 -41.12 96.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 60.43 110.953 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -56.87 -27.19 60.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 62.24 110.912 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.49 -38.28 5.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 62.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -26.57 67.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.371 . . . . 62.23 110.898 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -52.21 -54.0 36.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 75.01 110.876 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -56.27 -26.36 51.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 75.31 110.872 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.8 t -81.77 -42.2 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 73.44 111.157 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.83 -25.83 43.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.863 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -87.45 -41.01 13.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 62.43 110.882 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 19' ' ' VAL . 7.2 mt -51.96 -37.36 52.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.967 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.28 -65.24 3.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 71.52 112.487 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -31.31 29.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 72.31 110.858 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -52.38 28.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 64.52 110.873 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 15' ' ' LEU . 28.2 t -54.96 -27.01 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 63.2 111.1 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.4 ttp -82.94 -37.61 23.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 63.41 110.876 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.17 -30.38 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 62.22 110.915 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -79.15 -35.2 42.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 72.13 110.866 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.35 -23.46 32.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.96 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -78.87 -26.43 43.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 64.41 110.877 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -84.98 -26.04 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.889 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.1 -27.14 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.55 110.832 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.98 -35.9 82.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 64.34 110.848 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.9 mt -56.44 -26.19 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 64.33 111.181 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.0 -23.42 35.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 75.43 112.462 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 30' ' ' ILE . 21.9 mt -94.74 -9.02 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 61.33 111.137 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.21 -0.53 15.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 41.13 110.845 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.83 156.2 1.73 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.578 0.704 . . . . 71.52 110.883 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -46.41 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.259 . . . . 62.11 112.348 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -53.33 -27.53 23.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 63.13 110.946 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.73 -36.02 45.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 62.02 110.882 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -39.42 92.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 75.21 110.877 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -71.55 -31.74 67.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 65.42 110.866 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -83.38 -22.42 32.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 54.32 110.878 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.99 -22.82 22.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.981 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.94 -49.55 36.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.906 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -68.74 -24.77 64.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 72.45 110.916 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.84 -29.34 23.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 53.42 111.126 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.26 -23.53 26.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 73.21 111.115 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -68.59 -35.05 76.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 64.21 110.893 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 54.43 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 41.34 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.29 170.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.954 0.407 . . . . 74.12 110.864 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.12 8.57 10.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 65.14 110.936 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.04 26.23 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 52.54 110.937 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.99 26.23 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 75.44 110.909 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.65 -55.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 74.33 110.907 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.65 -27.7 66.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.889 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.06 -25.52 21.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 61.33 112.44 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -83.24 -26.71 30.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.863 0.363 . . . . 73.34 110.88 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -52.12 -48.94 64.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 51.14 110.85 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -26.3 66.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 55.44 110.86 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 51.2 t -81.72 -42.55 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 75.34 111.134 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.52 -26.13 41.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.876 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -86.62 -30.61 21.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 63.12 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.4 mt -55.02 -36.91 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 74.2 110.9 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.21 -64.69 3.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.706 -0.759 . . . . 72.43 112.53 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.12 -30.23 25.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 62.2 110.875 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -51.91 23.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 71.34 110.892 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 15' ' ' LEU . 24.3 t -56.54 -26.04 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 53.14 111.13 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.7 ttp -84.7 -38.59 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 64.21 110.906 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -70.43 -27.35 64.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.903 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -81.49 -33.71 31.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 73.44 110.87 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.74 -24.68 26.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 71.34 110.93 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.58 -30.78 57.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 73.4 110.866 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -76.74 -22.68 53.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 75.44 110.918 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -97.31 -32.23 12.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.877 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -52.54 -37.81 58.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.873 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.4 mt -54.93 -26.11 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 65.3 111.129 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.57 -16.24 29.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.701 -0.761 . . . . 72.33 112.492 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.8 mt -93.35 -16.13 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 72.43 111.144 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.22 0.02 21.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 64.4 110.832 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.69 155.61 1.87 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.729 . . . . 74.24 110.885 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -46.58 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.277 . . . . 71.13 112.364 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -52.88 -27.58 19.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 71.3 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.47 -40.11 58.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 73.53 110.855 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -36.94 85.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 72.55 110.855 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.33 -32.31 64.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 63.14 110.906 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -22.61 34.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.02 110.859 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 tp -89.19 -22.63 22.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.904 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.78 -48.22 40.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.916 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.34 -24.84 63.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 62.54 110.938 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.23 -29.36 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 55.5 111.061 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.7 -23.45 27.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 44.45 111.098 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.58 -35.11 76.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.896 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 13.21 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 64.13 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -102.21 -179.34 3.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.964 0.412 . . . . 52.23 110.867 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -31.19 66.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.942 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -32.2 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.941 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -31.92 66.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 60.14 110.891 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 tp -61.17 -42.81 99.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 71.12 110.919 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.46 -26.41 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 63.01 110.869 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.39 -40.3 10.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 72.34 112.461 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.79 -27.31 68.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 74.04 110.881 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -52.0 -49.84 62.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 74.02 110.863 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -59.86 -26.35 65.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 74.24 110.849 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.7 t -81.36 -42.59 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 75.41 111.129 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.56 -26.08 41.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 74.02 110.861 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -88.25 -30.09 19.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 73.55 110.863 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.714 ' O ' HG23 ' A' ' 19' ' ' VAL . 6.4 mt -56.27 -39.82 73.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 52.55 110.95 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.46 -65.34 3.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 41.2 112.478 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.6 m -52.05 -31.19 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 72.25 110.882 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.34 -52.39 27.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 72.22 110.921 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 15' ' ' LEU . 27.7 t -54.81 -27.09 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 55.24 111.166 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.1 ttt -82.78 -38.05 23.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 55.11 110.912 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.2 tt0 -68.86 -31.15 69.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 74.02 110.937 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.02 -35.07 50.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 63.31 110.909 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.62 -26.46 32.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 72.11 110.912 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -78.0 -29.2 49.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.83 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 21' ' ' GLU . 30.4 mt -80.61 -20.84 42.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 74.32 110.909 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.563 ' HG3' HD12 ' A' ' 30' ' ' ILE . 10.4 ptm180 -98.86 -32.64 11.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.873 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.59 -29.99 64.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 51.23 110.925 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.1 mt -54.64 -26.34 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 70.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.34 7.9 24.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 63.54 112.49 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.563 HD12 ' HG3' ' A' ' 26' ' ' ARG . 59.0 mt -116.9 -18.23 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 71.43 111.139 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.78 0.36 22.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 75.32 110.901 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.84 155.53 1.96 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.629 0.728 . . . . 74.34 110.84 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -46.66 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.266 . . . . 74.03 112.331 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -52.77 -27.64 18.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 75.51 110.853 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -45.42 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.88 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -30.52 70.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 64.54 110.847 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.32 -33.3 49.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.878 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -82.09 -22.61 36.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 74.22 110.895 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -22.37 22.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 74.41 110.901 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -47.95 39.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 75.24 110.923 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -24.74 63.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.951 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.6 -28.86 23.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 51.31 111.104 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.9 -23.4 27.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 55.51 111.095 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -68.58 -35.14 76.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.13 110.903 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 41.24 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 72.52 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.68 171.42 19.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 52.21 110.87 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.445 ' HG3' HD12 ' A' ' 4' ' ' LEU . 4.2 ptpp? -53.61 -36.06 61.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.861 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.445 HD12 ' HG3' ' A' ' 3' ' ' LYS . 6.1 mp -110.07 44.41 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 70.53 110.942 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -56.64 -26.88 57.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 60.13 110.872 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tt -113.23 -52.3 2.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 74.31 110.912 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -54.79 -27.3 40.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 64.12 110.883 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.85 -51.82 2.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.765 . . . . 71.21 112.498 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -55.59 -26.4 43.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.88 0.371 . . . . 71.33 110.907 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -52.09 -53.13 46.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 64.01 110.856 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.91 -28.54 62.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 63.12 110.897 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.9 t -78.85 -42.16 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.11 111.158 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -25.63 50.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 64.24 110.883 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -86.31 -36.2 19.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 73.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 19' ' ' VAL . 3.0 mt -52.56 -38.98 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 74.35 110.901 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.29 -65.6 3.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 65.33 112.51 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.1 t -51.98 -31.58 29.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 64.43 110.866 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.76 -52.52 29.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 64.42 110.89 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 15' ' ' LEU . 30.4 t -54.27 -27.38 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.151 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.2 ttm -82.46 -37.64 25.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 61.43 110.893 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.98 -30.67 69.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 63.31 110.891 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -78.88 -35.27 43.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 52.52 110.923 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.14 -23.4 32.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 62.34 110.917 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.36 -26.23 42.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.874 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -84.95 -28.56 25.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 70.33 110.926 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.02 -29.85 20.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 71.25 110.832 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -58.42 -44.8 89.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 75.34 110.82 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.6 mm -56.35 -26.0 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 62.01 111.153 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.57 -24.58 45.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.772 -0.728 . . . . 43.41 112.471 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.8 mt -95.4 -13.08 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 74.1 111.116 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.7 -0.24 18.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.903 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.63 155.89 1.75 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.578 0.704 . . . . 65.34 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -46.49 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 2.255 . . . . 73.21 112.369 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -53.1 -27.47 20.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.938 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.69 -33.74 35.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 73.51 110.829 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -41.11 94.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.891 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -70.09 -32.33 70.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 71.51 110.855 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.42 -22.83 35.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.33 110.885 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.0 tp -89.11 -22.61 22.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 72.23 110.94 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 tt -76.71 -39.97 50.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 72.13 110.939 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -25.05 59.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 64.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.97 -33.86 19.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 61.4 111.116 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.04 -23.16 38.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 44.34 111.072 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -76.84 -26.15 53.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 72.43 110.849 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 44.15 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 52.51 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.85 -176.4 3.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.929 0.395 . . . . 74.24 110.863 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.63 -35.19 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 53.32 110.935 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.64 -27.7 66.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.918 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.92 -26.12 61.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 64.25 110.975 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -118.01 -65.04 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 33.11 110.916 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -57.77 -28.12 63.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 74.52 110.906 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.32 -31.33 16.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 62.32 112.481 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.74 -26.46 65.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.86 0.362 . . . . 73.11 110.865 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -52.32 -53.38 45.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 51.31 110.844 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -26.14 58.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 64.05 110.858 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.2 t -82.29 -40.37 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 73.32 111.14 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.93 -25.56 43.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 62.21 110.82 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -80.86 -44.68 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.848 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.7 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -58.02 -34.26 69.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 64.41 110.972 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.77 -57.26 16.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 63.21 112.488 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.5 p -57.15 -31.57 65.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 52.31 110.863 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.28 -51.13 26.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 44.52 110.921 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 15' ' ' LEU . 21.9 t -59.08 -23.94 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 62.02 111.16 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.9 ttm -87.33 -36.46 17.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.917 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -72.36 -27.3 62.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 74.44 110.883 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -81.92 -33.43 30.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 65.54 110.912 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.73 -22.28 27.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.898 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -78.37 -28.21 47.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 64.33 110.881 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.512 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -82.2 -24.85 34.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 73.44 110.907 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -25.74 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.855 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.73 -28.69 67.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 71.04 110.848 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 25' ' ' LEU . 10.8 mt -56.27 -26.29 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 74.25 111.088 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.86 2.57 58.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 53.12 112.489 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 30' ' ' ILE . 19.3 mt -121.15 -7.33 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 63.1 111.147 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.04 -0.25 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 71.22 110.868 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.79 156.53 1.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.608 0.718 . . . . 73.51 110.875 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -45.72 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 50.43 112.335 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -54.5 -25.51 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 63.14 110.898 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -29.0 49.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 63.24 110.859 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -55.98 24.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 62.25 110.915 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.0 ptt180 -64.51 -20.24 66.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 74.24 110.82 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.84 -26.3 24.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 54.33 110.879 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 tp -94.55 -18.81 21.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 75.15 110.934 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mt -79.95 -40.37 28.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 70.3 110.903 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -76.71 -23.22 53.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 72.21 110.896 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.21 -36.34 16.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 71.25 111.11 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.62 -33.02 62.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 40.53 111.105 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -26.44 66.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 74.42 110.849 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 5.34 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 64.45 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.49 -27.83 11.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.952 0.406 . . . . 70.22 110.878 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -30.23 28.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 60.3 110.942 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.75 36.94 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 64.13 110.939 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 pp -58.09 -28.64 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.896 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mp -72.96 -37.02 67.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 75.25 110.895 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -65.75 -27.57 68.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 65.43 110.87 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.2 -44.02 7.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 71.33 112.45 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -74.46 -27.1 60.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 72.13 110.866 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -52.03 -52.69 49.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.864 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.22 -27.46 62.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 62.01 110.9 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -79.94 -42.57 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 54.04 111.153 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -26.09 41.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 70.22 110.868 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -89.71 -32.7 16.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 71.42 110.858 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -65.53 -47.23 76.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.898 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.02 -47.59 59.84 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 65.04 112.466 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.4 m -68.96 -12.78 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.906 0.384 . . . . 54.43 110.833 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.79 -47.8 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.55 110.856 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 15' ' ' LEU . 26.6 t -55.37 -29.47 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 74.21 111.131 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.1 ptm -79.03 -33.94 44.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 73.1 110.904 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.95 -34.7 71.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.93 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -77.64 -27.36 51.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 71.3 110.92 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.3 -29.68 30.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 73.23 110.922 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -77.48 -25.77 50.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.87 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.01 -25.69 34.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 72.23 110.938 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -90.56 -32.12 16.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 61.3 110.914 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -53.16 -48.88 67.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.827 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.8 mm -55.14 -26.04 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.1 111.145 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.56 -26.45 38.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 75.02 112.467 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.0 mt -93.25 -12.66 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 74.23 111.122 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.12 -0.09 18.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.14 110.832 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.6 155.83 1.75 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.646 0.736 . . . . 74.41 110.855 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -46.64 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 62.35 112.357 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -52.99 -27.49 19.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 74.3 110.909 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -42.48 62.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 64.21 110.847 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -35.5 80.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 54.04 110.893 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -74.43 -32.74 62.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 72.11 110.878 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.39 -22.63 35.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 65.44 110.893 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 tp -89.4 -22.53 22.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 73.4 110.863 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.3 tp -73.12 -47.67 42.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.907 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -69.79 -24.81 63.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 61.51 110.92 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.88 -28.61 22.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 63.51 111.091 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.94 -23.48 26.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 71.5 111.108 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -68.61 -35.02 76.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 72.23 110.874 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 1.53 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 . . . . . . . . 65.42 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.7 -28.39 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.962 0.411 . . . . 61.44 110.891 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.98 -40.96 67.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 73.15 110.956 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.86 -31.93 70.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 73.4 110.904 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.98 -37.84 33.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.909 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.3 mp -57.65 -41.0 80.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 65.15 110.911 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -67.07 -27.18 67.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.876 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.42 -36.35 12.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 64.43 112.472 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -26.45 65.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 75.43 110.862 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -52.09 -47.55 65.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 75.23 110.878 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -62.19 -30.76 71.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 42.4 110.881 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.5 t -76.51 -42.97 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 54.41 111.15 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -25.78 43.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 54.11 110.841 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -86.35 -34.73 20.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 72.34 110.857 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.537 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -56.64 -47.73 79.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 71.11 110.929 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.62 -45.28 68.3 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 70.43 112.509 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -13.47 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 74.53 110.825 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.72 -47.46 7.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 72.03 110.923 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 15' ' ' LEU . 31.7 t -55.76 -29.37 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 72.32 111.164 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -79.11 -33.95 43.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 75.15 110.865 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.95 -34.65 71.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.412 . . . . 73.35 110.886 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -77.73 -27.44 50.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.926 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.37 -29.47 30.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 62.03 110.891 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -77.24 -25.76 51.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 71.32 110.865 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -82.83 -25.88 32.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 73.04 110.908 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.528 ' O ' HD12 ' A' ' 30' ' ' ILE . 19.5 ptp180 -91.09 -32.19 15.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.859 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -52.34 -49.19 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 63.31 110.837 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.7 mm -55.14 -26.03 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.42 111.166 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.61 -25.12 36.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 40.12 112.499 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 26' ' ' ARG . 3.4 mt -91.12 -18.13 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 74.35 111.111 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.57 0.38 22.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 34.14 110.856 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.52 155.44 1.84 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 73.15 110.873 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -46.76 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 64.4 112.363 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -52.66 -27.57 17.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 63.43 110.951 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.52 -44.4 62.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 70.34 110.876 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.498 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.5 mtp85 -61.41 -32.23 72.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 60.41 110.872 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -76.87 -33.47 57.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 70.13 110.885 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -81.49 -22.99 37.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.915 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -89.59 -22.26 22.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 72.41 110.962 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -71.11 -52.11 21.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 72.52 110.897 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.11 -24.24 65.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 70.04 110.95 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.35 -35.57 23.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 62.21 111.088 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.67 -23.16 34.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 64.43 111.13 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.83 -26.09 53.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 72.54 110.857 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 31.33 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 33.41 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.62 -174.67 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.383 . . . . 73.1 110.902 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -82.56 -31.18 29.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 73.15 110.888 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 pp -77.21 -34.49 56.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 70.33 110.904 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.36 -27.23 65.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.929 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.38 -45.94 68.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.914 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.36 -28.24 41.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 73.44 110.903 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.38 -35.7 5.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.762 . . . . 60.41 112.452 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HA ' HG12 ' A' ' 12' ' ' VAL . 73.6 t80 -71.63 -16.52 62.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 75.34 110.906 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -80.59 -24.31 39.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 44.03 110.829 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.63 -32.28 16.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 74.44 110.885 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' A' ' 9' ' ' PHE . 9.8 p -74.89 -26.93 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.23 111.106 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.49 -24.71 65.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 70.32 110.841 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -79.76 -35.32 38.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 65.13 110.932 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.634 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -55.05 -47.7 74.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 62.45 110.931 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.21 -47.5 55.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.68 -0.771 . . . . 61.02 112.526 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.82 -11.84 60.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 72.52 110.827 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -89.63 -43.33 10.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.42 110.898 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 15' ' ' LEU . 23.1 t -56.57 -30.7 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 51.24 111.105 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.5 ptm -77.88 -32.86 52.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.916 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -71.75 -31.41 66.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 61.14 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.436 ' HA ' HD23 ' A' ' 25' ' ' LEU . 25.4 pt-20 -81.32 -27.91 34.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 73.1 110.938 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.55 -18.91 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 55.44 110.922 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -82.85 -29.33 29.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 72.14 110.852 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 22' ' ' GLU . 1.6 pp -81.44 -24.71 36.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 63.3 110.898 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 -33.2 15.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.876 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -40.87 74.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.88 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.8 mm -54.57 -26.45 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 53.34 111.12 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.15 -22.65 37.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 73.4 112.487 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 30' ' ' ILE . 28.6 mt -93.13 -11.27 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 73.53 111.09 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.8 -0.34 17.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.53 110.827 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.86 155.9 1.85 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.62 0.724 . . . . 70.03 110.862 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -46.36 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 74.34 112.381 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -53.28 -27.23 21.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 72.42 110.916 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.88 -49.23 63.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 74.12 110.847 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -24.53 59.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.873 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.52 -32.46 25.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 52.11 110.903 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -83.71 -21.89 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.913 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.86 -22.61 21.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.88 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.9 tp -72.74 -48.44 38.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 73.35 110.919 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -69.34 -24.78 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.963 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.84 -30.09 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.44 111.115 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.77 -23.53 29.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 53.13 111.099 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.58 -35.07 76.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 74.01 110.884 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 64.52 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 62.03 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.37 170.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.983 0.42 . . . . 44.41 110.825 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -51.88 -46.11 64.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 70.23 110.916 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp 50.14 36.76 12.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 55.3 110.957 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.92 -30.48 9.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 72.2 110.91 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.9 -32.45 74.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.91 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -74.85 -28.0 60.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 71.14 110.878 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.57 -33.87 26.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 75.14 112.466 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -26.39 63.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.377 . . . . 75.23 110.922 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -51.99 -56.62 13.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 73.22 110.859 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.25 -27.88 37.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.894 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.9 t -79.6 -41.66 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.094 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -26.1 40.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 74.41 110.878 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -81.74 -43.94 17.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 73.15 110.849 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.734 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -55.51 -31.6 62.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.913 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.12 -49.98 72.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 65.02 112.492 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -65.05 -15.34 62.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 71.25 110.848 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.33 -46.97 7.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.903 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 15' ' ' LEU . 57.7 t -55.94 -29.46 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 72.41 111.168 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.3 ptm -79.05 -33.52 44.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 71.02 110.847 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.9 -33.4 68.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 55.52 110.884 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -78.48 -27.67 46.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 73.43 110.883 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -91.06 -18.2 24.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 75.22 110.934 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -83.93 -29.19 27.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.879 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 26' ' ' ARG . 4.6 pp -86.42 -23.07 26.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.44 110.921 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.472 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -95.7 25.16 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 75.42 110.9 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -130.79 -48.04 1.04 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 62.1 110.879 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.0 mt -56.06 -26.15 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 73.43 111.074 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.47 -22.02 45.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.76 . . . . 52.43 112.477 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 mt -95.47 -12.37 8.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.845 0.355 . . . . 75.54 111.105 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.35 -0.06 17.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 64.24 110.821 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.61 155.87 1.74 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.592 0.71 . . . . 73.11 110.868 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -46.63 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 64.51 112.346 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -27.43 19.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 75.01 110.933 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.8 -37.33 51.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 75.54 110.832 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -65.22 -38.16 89.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 74.12 110.874 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -72.47 -31.68 65.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.51 110.915 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 -22.3 32.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 62.52 110.916 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 tp -88.96 -22.93 22.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 60.14 110.921 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.1 tp -72.45 -48.4 41.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.928 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -69.08 -24.95 64.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.923 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.74 -29.52 22.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 41.22 111.059 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.61 -21.77 32.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 70.34 111.135 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -67.26 -36.65 82.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 71.13 110.874 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 3.21 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 . . . . . . . . 75.13 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.15 176.66 11.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.399 . . . . 72.2 110.847 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.02 8.51 32.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.505 . . . . 75.53 110.893 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.04 -37.48 13.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 64.15 110.939 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.12 -38.87 80.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 64.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -50.23 73.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.932 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.29 -27.28 68.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 73.12 110.925 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.6 -29.23 49.25 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.732 . . . . 54.41 112.523 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.28 -26.39 23.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.362 . . . . 53.54 110.885 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -52.09 -51.3 58.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 63.22 110.897 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.526 ' O ' HD23 ' A' ' 15' ' ' LEU . 20.5 t0 -58.1 -26.13 62.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 72.43 110.87 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.1 t -82.62 -43.15 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 64.05 111.14 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -25.74 43.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 63.24 110.852 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -87.37 -41.24 13.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 64.45 110.945 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 11' ' ' ASP . 1.7 mm? -59.51 -35.06 73.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.94 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.13 -36.97 94.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 73.52 112.491 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.3 p -81.04 -34.79 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.363 . . . . 75.04 110.823 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -72.5 -39.72 67.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 63.34 110.908 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.33 -25.05 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 54.31 111.143 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.2 ttp -84.66 -35.1 22.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 72.42 110.874 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.15 -32.96 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 65.14 110.927 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.2 -34.59 49.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 62.13 110.893 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.51 -22.69 34.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 73.22 110.927 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -79.72 -26.05 40.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 71.51 110.877 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -84.46 -31.95 24.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.881 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.71 -27.71 31.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 43.34 110.87 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -64.2 -42.92 96.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.852 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.2 mt -55.27 -26.22 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 73.23 111.121 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.39 -25.82 41.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 61.44 112.489 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.7 mt -93.75 -13.18 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.854 0.359 . . . . 55.21 111.131 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.58 -0.19 18.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 63.2 110.91 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.62 155.88 1.74 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 61.14 110.913 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -46.4 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.699 2.266 . . . . 61.43 112.343 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -53.12 -27.5 21.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 72.52 110.882 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -36.03 45.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 65.22 110.838 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -65.25 -39.24 92.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 71.4 110.859 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -71.6 -31.81 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -83.31 -22.48 32.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 62.33 110.876 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tp -88.93 -22.89 22.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 72.52 110.956 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.88 -47.6 44.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.901 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -69.54 -25.01 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.873 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.91 -28.68 22.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.21 111.097 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.34 -23.51 28.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 53.14 111.127 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -68.63 -35.05 76.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.84 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 43.55 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 54.22 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -113.51 -74.72 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.974 0.416 . . . . 71.13 110.852 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -34.61 62.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 71.45 110.91 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.16 -26.44 60.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 75.21 110.935 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.98 -26.7 38.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 73.3 110.935 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -43.36 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 72.25 110.939 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -55.96 -28.3 56.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.12 110.884 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -89.56 -37.62 6.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 63.33 112.514 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.508 ' HA ' HG12 ' A' ' 12' ' ' VAL . 58.9 t80 -68.29 -16.32 63.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 75.02 110.93 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -24.91 40.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 64.42 110.846 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.57 -33.49 16.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 75.33 110.831 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 9' ' ' PHE . 9.9 p -73.43 -28.59 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 75.15 111.107 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -25.05 67.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 71.03 110.871 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -82.74 -37.63 24.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 73.42 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.723 ' O ' HG23 ' A' ' 19' ' ' VAL . 16.3 tp -55.25 -36.06 65.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.933 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.78 -65.17 3.72 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 64.01 112.48 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -34.09 42.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 72.31 110.861 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.08 -52.53 40.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 74.43 110.909 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 15' ' ' LEU . 65.6 t -51.29 -30.77 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 70.34 111.105 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.2 ttp -76.07 -34.8 59.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 42.54 110.854 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.62 -31.38 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.896 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.494 ' HA ' HD23 ' A' ' 25' ' ' LEU . 5.6 mm-40 -80.09 -30.98 39.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 73.23 110.913 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.07 -22.97 25.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 71.31 110.869 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -77.82 -31.18 51.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 51.41 110.799 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 22' ' ' GLU . 1.5 pp -78.18 -17.67 56.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 74.43 110.911 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -104.21 -32.1 9.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 54.31 110.904 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -51.31 -36.1 41.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 72.12 110.855 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.7 mt -52.16 -26.78 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 74.24 111.151 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.9 -15.61 30.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 33.22 112.516 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 30' ' ' ILE . 11.6 mt -100.92 2.77 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 73.44 111.157 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.75 0.92 8.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 55.54 110.868 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.18 155.11 1.76 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.61 0.719 . . . . 73.23 110.862 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 -24.17 29.67 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.241 . . . . 73.13 112.374 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -78.73 -2.07 37.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.9 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.45 -45.65 15.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.875 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -34.21 77.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 71.21 110.866 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.12 -24.37 43.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.868 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -89.88 -21.49 22.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 71.22 110.938 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.2 tp -91.34 -22.17 20.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.925 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -57.3 6.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 72.33 110.931 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -67.0 -23.15 65.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.948 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.01 -30.34 31.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 61.53 111.076 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.37 -23.45 22.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.087 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.55 -35.16 77.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 70.25 110.871 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 24.42 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 61.43 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.79 179.3 8.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.9 0.381 . . . . 72.51 110.905 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.21 8.57 41.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 63.02 110.884 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 tp -114.25 27.04 9.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 75.15 110.939 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -95.6 -31.05 13.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 64.43 110.906 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -55.03 14.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 74.44 110.908 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -57.21 -28.41 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.882 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.47 -22.23 41.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 75.21 112.441 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' HA ' HG12 ' A' ' 12' ' ' VAL . 52.6 t80 -81.5 -16.75 50.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.347 . . . . 74.02 110.882 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -80.59 -24.35 39.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 64.23 110.894 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.6 -32.18 16.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 73.21 110.856 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' A' ' 9' ' ' PHE . 9.8 p -75.01 -27.94 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 73.32 111.143 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.29 -25.63 67.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 74.01 110.835 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -87.25 -40.82 14.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.894 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -57.89 -31.43 66.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 71.44 110.862 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.36 -36.97 79.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 71.31 112.482 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -83.79 -18.69 36.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 74.4 110.879 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -90.95 -36.78 13.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 62.24 110.906 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 p -61.52 -28.54 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 51.43 111.092 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -74.84 -34.39 62.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.861 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.578 ' OE2' HD13 ' A' ' 25' ' ' LEU . 8.7 tp10 -68.4 -43.73 76.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.428 . . . . 75.43 110.906 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -69.38 -27.34 65.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 62.14 110.881 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -37.17 46.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 75.53 110.908 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.91 -19.19 57.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 73.5 110.89 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.578 HD13 ' OE2' ' A' ' 21' ' ' GLU . 1.1 tp -87.28 -24.19 24.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.891 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -29.34 18.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.868 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.9 -36.93 85.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.03 110.887 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.0 mt -54.77 -26.17 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.121 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.09 -20.7 32.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 64.02 112.485 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.4 mt -91.87 -16.42 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 71.35 111.115 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.12 0.1 21.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 74.51 110.902 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.77 155.55 1.92 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 63.22 110.913 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -46.52 1.19 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.68 2.254 . . . . 52.54 112.359 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -52.86 -27.23 17.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 73.32 110.953 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.8 -38.84 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 65.15 110.872 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -32.35 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.865 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.75 -33.49 58.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 64.34 110.897 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -81.3 -23.11 38.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 63.32 110.895 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 tp -89.69 -22.17 22.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 74.44 110.877 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -51.88 21.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.882 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.22 -24.29 64.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 71.33 110.896 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.48 -37.55 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 54.03 111.082 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.35 -23.13 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 53.33 111.103 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -26.25 54.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.896 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 4.1 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 53.34 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.4 m -133.01 166.95 21.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.939 0.4 . . . . 75.13 110.886 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -31.04 66.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 51.24 110.926 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.35 -32.95 74.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 64.51 110.917 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.86 -39.2 90.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.934 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.07 -30.65 71.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 74.51 110.921 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -73.48 -26.84 61.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.878 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.37 -38.06 9.29 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.696 -0.764 . . . . 71.21 112.448 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.3 -22.65 61.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.352 . . . . 74.44 110.862 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -56.78 -38.7 72.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 55.34 110.844 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.54 -3.68 44.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 75.11 110.844 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.5 t -108.55 -26.06 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.448 . . . . 42.42 111.092 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -14.35 59.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 73.24 110.827 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -91.53 -26.3 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 73.23 110.9 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' ' 19' ' ' VAL . 8.4 tp -74.12 -54.18 8.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.938 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.81 -42.03 52.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 51.34 112.472 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.9 m -68.35 -35.25 77.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 71.32 110.866 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -68.28 -51.66 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.882 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 15' ' ' LEU . 38.2 t -51.77 -29.55 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 74.2 111.132 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.7 ttt -74.1 -40.94 62.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 74.33 110.886 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.523 ' OE1' HD23 ' A' ' 25' ' ' LEU . 4.6 tp10 -62.45 -41.32 98.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 72.52 110.84 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -69.36 -36.09 76.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.879 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -31.74 60.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 64.1 110.937 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -78.87 -25.24 43.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 70.51 110.871 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.523 HD23 ' OE1' ' A' ' 21' ' ' GLU . 1.6 mm? -84.39 -23.35 30.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 45.01 110.884 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -93.08 -32.38 14.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.857 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -51.97 -51.24 58.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 62.22 110.849 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.7 mt -54.88 -26.17 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 72.11 111.133 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.09 -26.81 39.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 72.33 112.466 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.6 mt -92.37 -14.63 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 74.42 111.169 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.73 0.06 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 65.14 110.879 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.46 155.67 1.74 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.599 0.714 . . . . 74.44 110.855 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -46.62 1.15 Allowed 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.696 2.264 . . . . 74.21 112.308 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -52.87 -27.47 18.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 52.12 110.945 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.6 -42.48 61.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 70.32 110.88 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -35.41 80.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 70.51 110.868 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -32.53 62.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.857 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -22.62 34.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.919 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.28 -22.55 22.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 62.34 110.932 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.4 tp -72.91 -48.0 40.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.919 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -24.86 63.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 71.44 110.907 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.48 -30.55 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 73.34 111.074 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.04 -23.39 30.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 72.42 111.101 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.68 -35.06 76.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.32 110.863 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 32.43 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 75.21 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.53 174.32 14.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.973 0.416 . . . . 72.21 110.823 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.92 -35.23 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 75.35 110.865 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -96.84 34.23 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 63.23 110.872 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.74 -26.25 65.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 72.1 110.899 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pp -63.24 -28.3 69.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 62.23 110.929 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -82.42 -28.21 31.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 44.52 110.921 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.19 -29.46 25.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 73.53 112.451 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -75.2 -26.31 58.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.366 . . . . 65.4 110.899 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -50.18 61.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 63.34 110.912 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.0 -26.09 65.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.862 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -82.31 -39.33 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 50.21 111.114 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -25.73 43.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.841 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -84.95 -38.12 19.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 61.14 110.835 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.751 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -51.91 -41.27 61.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 73.14 110.94 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.05 -66.54 2.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 55.44 112.516 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -33.18 39.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 73.53 110.852 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -65.99 -52.9 45.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 75.33 110.873 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 15' ' ' LEU . 39.8 t -50.92 -30.55 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.23 111.123 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.5 ttm -77.88 -36.36 49.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 70.33 110.87 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.14 -25.67 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 74.51 110.868 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.02 -33.41 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 74.24 110.876 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.34 -23.04 26.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.927 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -76.93 -31.21 56.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 64.03 110.86 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.57 -24.84 49.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 70.43 110.883 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -95.13 -32.24 13.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 55.12 110.843 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.99 -36.4 62.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 73.2 110.853 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.3 mm -54.69 -26.27 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 70.42 111.145 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.16 -19.13 31.56 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.714 -0.755 . . . . 53.23 112.508 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 30' ' ' ILE . 16.0 mt -96.32 -4.7 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.351 . . . . 42.23 111.076 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.06 -0.3 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 31.31 110.874 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.57 157.1 1.34 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 63.3 110.91 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.94 1.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.718 2.279 . . . . 42.45 112.381 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -54.59 -25.91 29.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 62.24 110.9 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.61 -27.49 39.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 72.54 110.856 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -74.28 -31.86 62.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 71.03 110.839 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -77.52 -29.0 52.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.834 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.1 -22.29 25.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 64.33 110.86 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 tp -86.03 -25.2 26.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.872 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -70.74 -48.17 55.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 70.23 110.909 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -67.86 -25.84 65.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 73.23 110.912 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.56 -29.85 22.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 71.35 111.061 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.49 -23.46 32.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.31 111.116 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -68.6 -35.08 76.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 71.34 110.845 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 34.33 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 51.25 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 58.56 176.94 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.968 0.413 . . . . 75.4 110.874 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -51.87 -43.77 63.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 73.25 110.911 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 50.18 36.07 11.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.944 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.49 -37.47 8.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 70.15 110.897 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.63 -45.74 92.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 63.35 110.914 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -61.19 -28.37 69.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.9 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.63 -31.65 17.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.747 -0.739 . . . . 54.25 112.471 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.502 ' HA ' HG12 ' A' ' 12' ' ' VAL . 66.9 t80 -77.34 -16.27 58.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.901 0.381 . . . . 51.51 110.918 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.17 -25.22 39.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 73.22 110.851 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.17 -33.48 17.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 43.11 110.861 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.502 HG12 ' HA ' ' A' ' 9' ' ' PHE . 10.0 p -73.26 -28.59 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 62.24 111.066 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.01 -24.25 66.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 63.3 110.849 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -87.79 -34.13 18.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 64.22 110.851 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.708 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -54.55 -44.99 73.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 61.51 110.886 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.63 -64.75 3.82 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 75.41 112.488 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.15 -30.26 25.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 43.3 110.861 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -51.87 23.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 61.44 110.876 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 15' ' ' LEU . 24.9 t -56.49 -26.06 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 73.15 111.125 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.6 ttp -84.57 -38.53 19.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 41.44 110.872 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.24 -27.89 64.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 64.52 110.895 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -80.95 -33.84 33.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.12 110.881 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.11 -25.45 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 71.03 110.941 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -76.89 -24.3 52.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 73.2 110.864 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -80.81 -24.07 38.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 74.03 110.905 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.71 -30.49 15.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 64.43 110.9 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.71 -34.59 74.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 65.25 110.872 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.3 mt -54.9 -26.21 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 72.24 111.134 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.97 -20.76 32.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 75.43 112.52 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 30' ' ' ILE . 17.0 mt -96.34 -5.43 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 71.5 111.142 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.77 1.06 12.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.832 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.66 159.87 0.51 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.611 0.719 . . . . 74.33 110.891 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -44.37 2.15 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.736 2.291 . . . . 71.33 112.328 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -22.31 20.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 60.24 110.891 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -66.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 72.44 110.895 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -19.97 44.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 62.44 110.875 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -84.59 -33.97 23.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 73.41 110.872 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.56 -18.2 28.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 52.14 110.885 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 tp -94.51 -21.16 19.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.04 110.912 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 tt -76.63 -43.16 39.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 62.34 110.947 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -73.2 -24.34 60.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 73.04 110.899 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.31 -28.21 21.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.04 111.07 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.24 -23.16 32.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 70.32 111.124 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -66.91 -36.34 82.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.893 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 62.54 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 60.11 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.06 -173.83 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.949 0.404 . . . . 74.22 110.827 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.48 ' C ' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -81.63 -28.58 33.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 71.01 110.908 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.48 HD23 ' C ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 43.25 34.28 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 73.22 110.901 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -28.05 63.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 62.33 110.936 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -80.24 -40.41 27.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 73.24 110.925 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -61.29 -28.18 69.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 74.3 110.894 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -89.51 -33.92 8.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 43.12 112.501 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.494 ' HA ' HG12 ' A' ' 12' ' ' VAL . 60.9 t80 -71.46 -16.32 62.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 64.21 110.871 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.14 -25.31 39.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 55.42 110.841 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.2 -33.42 17.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 72.23 110.878 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 9' ' ' PHE . 10.0 p -73.24 -28.57 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 75.32 111.122 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.01 -24.28 66.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 65.43 110.843 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -87.76 -28.8 21.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 70.02 110.889 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.676 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -65.75 -36.75 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 73.35 110.888 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.42 -60.0 9.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 74.21 112.512 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.9 m -53.18 -29.03 29.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.939 0.4 . . . . 74.12 110.899 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.12 -45.18 27.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 63.2 110.856 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 15' ' ' LEU . 96.2 t -62.4 -23.67 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 64.2 111.152 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.1 ttm -82.97 -39.44 21.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.885 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.4 -30.93 70.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.02 110.885 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.468 ' HA ' HD23 ' A' ' 25' ' ' LEU . 19.6 pt-20 -78.58 -35.12 46.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.88 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.72 -16.83 40.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 73.23 110.921 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -89.26 -21.06 23.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 51.32 110.846 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 22' ' ' GLU . 0.8 OUTLIER -93.75 -24.04 17.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.931 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.5 ptt85 -92.36 -31.27 15.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.51 110.879 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.74 -34.22 77.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 74.21 110.867 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.7 mt -64.87 -25.49 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.155 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.65 3.06 45.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 73.23 112.452 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.1 mt -117.76 -21.43 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 74.44 111.14 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.78 1.47 22.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 64.33 110.876 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.5 155.86 1.69 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.7 . . . . 61.23 110.887 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -46.42 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.713 2.275 . . . . 73.13 112.328 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -53.39 -26.48 19.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 34.43 110.897 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -53.58 -28.24 30.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.844 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -56.38 20.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 72.01 110.867 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.3 ptt85 -63.94 -21.64 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 71.24 110.853 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -85.11 -26.82 26.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.862 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.416 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -93.89 -19.21 21.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 70.41 110.924 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tp -84.94 -28.42 25.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 51.4 110.896 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -84.82 -22.94 29.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.23 110.933 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -93.24 -27.83 16.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.41 111.136 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.08 -22.89 38.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.41 111.106 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -66.93 -36.47 82.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.859 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 31.22 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 34.44 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.8 -28.98 15.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.893 0.377 . . . . 72.54 110.803 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -33.0 66.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 71.35 110.936 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 57.6 20.17 6.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.23 110.892 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tp 46.08 33.04 1.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 61.22 110.891 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.78 -34.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 71.3 110.885 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -72.74 -32.69 65.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.876 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -99.54 -37.13 4.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 44.03 112.516 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.473 ' HA ' HG12 ' A' ' 12' ' ' VAL . 1.1 t80 -71.37 -9.47 58.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 75.32 110.901 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -76.41 -36.89 57.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 44.33 110.845 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.89 -43.86 34.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 72.22 110.877 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 9' ' ' PHE . 9.9 p -62.62 -25.05 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 63.45 111.185 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -22.8 61.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 74.54 110.907 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -95.74 -27.21 15.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 71.02 110.926 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 mt -67.57 -34.1 76.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 74.23 110.898 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.98 -39.97 97.79 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 70.25 112.489 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.06 -34.92 57.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 72.02 110.846 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -72.19 -49.56 34.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 62.43 110.862 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.5 p -53.72 -27.5 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.51 111.142 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.6 ttp -74.67 -38.75 62.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.856 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -69.8 -29.39 66.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.91 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' HA ' HD23 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -79.46 -31.68 42.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 61.44 110.845 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.04 -19.06 27.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.03 110.939 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -86.18 -27.27 24.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 70.54 110.857 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -85.04 -22.13 29.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.896 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.499 ' HG3' HD12 ' A' ' 30' ' ' ILE . 29.0 ptt180 -93.1 -32.8 14.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 75.25 110.901 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -61.69 -33.07 73.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 73.54 110.844 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 25' ' ' LEU . 21.4 mt -54.84 -26.06 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.41 111.152 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.22 7.97 24.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 21.34 112.483 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.499 HD12 ' HG3' ' A' ' 26' ' ' ARG . 34.9 mt -116.93 -19.98 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.811 0.338 . . . . 75.22 111.114 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.43 0.51 22.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 64.22 110.885 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.99 155.44 2.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.705 . . . . 55.4 110.896 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -46.67 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 72.41 112.298 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -52.77 -27.29 17.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.91 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -51.83 -38.97 57.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.837 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -32.33 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 74.5 110.893 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -76.77 -33.5 58.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 74.01 110.897 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -23.07 37.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.86 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -22.17 22.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 73.54 110.926 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -78.24 -37.56 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 54.02 110.877 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -75.69 -24.98 56.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 75.03 110.902 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.84 -47.65 9.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 52.44 111.156 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.91 -23.17 66.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 64.12 111.091 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -76.7 -26.26 54.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 65.52 110.907 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 23.12 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 54.21 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.48 -35.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.938 0.399 . . . . 65.14 110.876 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -54.49 30.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 74.13 110.919 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tp 50.18 39.04 18.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 74.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.72 -28.7 68.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 43.32 110.906 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.7 -52.49 64.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 51.13 110.912 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -55.11 -28.33 51.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.928 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.38 -44.71 12.52 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.694 -0.765 . . . . 64.31 112.519 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.428 ' HA ' HG12 ' A' ' 12' ' ' VAL . 4.5 t80 -71.79 -10.8 60.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 74.5 110.872 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.81 -23.31 29.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.863 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.2 -6.27 48.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.45 110.876 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 9' ' ' PHE . 8.2 p -105.93 -22.21 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 72.14 111.152 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.88 -18.65 43.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.776 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -22.03 25.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 71.34 110.873 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.744 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -57.88 -48.1 80.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 71.55 110.904 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.76 -59.31 10.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.801 -0.714 . . . . 74.23 112.45 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.3 t -53.38 -34.21 56.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 74.24 110.845 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -67.4 -45.73 75.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 62.54 110.852 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 15' ' ' LEU . 21.6 t -61.64 -24.0 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.32 111.141 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.7 ttp -87.31 -36.41 17.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 74.34 110.86 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.31 -27.18 62.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 75.24 110.898 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' HA ' HD23 ' A' ' 25' ' ' LEU . 2.5 pp20? -82.28 -33.0 29.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 70.11 110.927 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.59 -19.81 28.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.03 110.914 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -80.85 -28.04 36.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 73.25 110.903 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 22' ' ' GLU . 1.6 pp -83.06 -25.85 31.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 64.44 110.889 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.23 -30.48 16.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.2 110.871 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -58.53 -40.01 81.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.893 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.6 mm -54.79 -26.26 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 74.12 111.153 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.85 -23.44 35.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.705 -0.759 . . . . 61.41 112.481 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 30' ' ' ILE . 22.8 mt -94.58 -8.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 73.41 111.069 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.16 1.1 14.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 64.25 110.833 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.89 159.48 0.56 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.644 0.735 . . . . 75.42 110.871 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -44.57 2.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 75.33 112.401 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.89 -22.77 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.896 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -66.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 71.35 110.814 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -58.1 -20.48 40.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 74.34 110.854 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -83.81 -34.33 24.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 51.45 110.883 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -88.31 -18.3 28.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.882 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.92 -21.49 19.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 75.01 110.921 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.49 -38.56 40.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 73.2 110.945 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -75.73 -24.52 56.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.898 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.72 -28.25 19.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.128 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.78 -22.8 36.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 74.04 111.138 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 -66.99 -36.4 82.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 70.15 110.887 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 32.34 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 72.44 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -121.55 166.77 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.912 0.387 . . . . 74.43 110.857 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -87.36 -40.24 14.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 74.53 110.903 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 tp -59.76 -26.53 65.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.927 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.72 -34.1 52.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.967 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.6 -41.25 98.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 64.34 110.884 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -63.92 -26.78 68.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 70.31 110.869 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.46 -20.29 30.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.786 -0.721 . . . . 54.43 112.487 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -82.66 -26.35 32.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.891 0.377 . . . . 73.14 110.882 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -52.0 -51.37 57.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 75.33 110.847 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -28.23 66.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 73.4 110.837 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.5 t -79.54 -40.77 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 75.02 111.092 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -25.86 42.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.84 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -85.96 -40.42 15.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 72.52 110.868 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -35.1 75.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 73.32 110.917 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.99 -40.26 97.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 54.53 112.524 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -77.04 -30.92 55.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 73.25 110.872 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.85 -40.93 46.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 71.13 110.876 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.88 -23.86 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 75.33 111.118 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.5 ttt -87.72 -35.22 18.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 73.5 110.877 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.93 -28.88 63.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 72.43 110.912 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' HA ' HD23 ' A' ' 25' ' ' LEU . 2.9 pp20? -81.87 -31.64 31.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 63.45 110.911 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -20.5 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.934 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -79.94 -30.49 39.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 61.53 110.847 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 22' ' ' GLU . 1.8 pp -80.79 -25.12 38.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.02 110.912 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.21 -34.14 13.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 72.3 110.883 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.447 ' HA ' HG12 ' A' ' 30' ' ' ILE . 2.5 t0 -52.36 -40.37 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 61.24 110.888 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.2 mt -56.74 -25.85 22.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 70.54 111.098 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.28 -5.59 72.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 52.22 112.507 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.447 HG12 ' HA ' ' A' ' 27' ' ' ASP . 1.4 mm -99.41 -33.41 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 73.55 111.071 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.08 2.06 39.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 64.53 110.862 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.27 152.17 3.23 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.644 0.735 . . . . 74.43 110.837 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -44.58 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.635 2.223 . . . . 54.44 112.349 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -52.7 -25.4 10.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.91 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -52.93 -27.68 19.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 73.13 110.88 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -57.19 13.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.831 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -18.73 64.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.864 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -88.44 -26.01 22.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.24 110.89 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.98 -18.51 21.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.23 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -77.81 -45.41 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 72.01 110.948 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -74.34 -22.69 59.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.894 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.54 -27.31 22.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 62.25 111.085 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.68 -23.12 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 72.4 111.072 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 mtm-85 -68.35 -35.4 77.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 74.05 110.872 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 52.32 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 62.01 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.439 ' HA ' HD23 ' A' ' 5' ' ' LEU . 4.3 t 71.54 -69.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 73.05 110.86 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.15 -26.62 65.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 62.03 110.859 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 mp -98.82 39.51 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 75.13 110.961 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 2' ' ' SER . 0.5 OUTLIER -78.25 -32.56 49.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.51 110.895 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.48 -45.56 53.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.911 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -56.24 -27.25 54.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 70.4 110.896 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.29 -34.28 8.18 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 62.32 112.451 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.512 ' HA ' HG12 ' A' ' 12' ' ' VAL . 43.6 t80 -70.23 -16.39 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 75.34 110.902 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.11 -25.24 40.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 71.14 110.865 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.2 -33.5 16.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 70.23 110.83 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 9' ' ' PHE . 9.9 p -73.22 -28.58 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 73.41 111.16 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.93 -24.35 66.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.0 110.845 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -92.1 -32.7 15.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 54.21 110.89 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.2 mt -57.8 -34.44 69.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 51.05 110.92 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.41 -63.59 4.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 74.22 112.448 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.1 -30.6 37.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 73.34 110.85 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -51.86 24.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 72.34 110.888 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 15' ' ' LEU . 24.7 t -56.24 -26.29 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 73.3 111.126 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.1 ttp -84.37 -38.39 20.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 60.4 110.888 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.76 -27.56 64.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 71.35 110.881 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -81.2 -33.05 33.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.468 . . . . 71.05 110.907 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.69 -28.28 24.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 70.32 110.907 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -73.13 -28.59 62.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 52.02 110.852 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.26 -21.27 53.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.903 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.0 ptt85 -100.73 -29.1 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.905 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' HA ' HG12 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -51.71 -41.45 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.846 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.4 mm -56.83 -24.84 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 73.33 111.118 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.95 -4.46 69.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 52.42 112.515 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.441 HG12 ' HA ' ' A' ' 27' ' ' ASP . 1.2 mm -101.26 -32.41 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 61.31 111.135 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.24 1.68 39.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 50.52 110.875 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.52 151.89 3.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.529 0.68 . . . . 74.44 110.923 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -44.76 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.66 2.24 . . . . 74.02 112.388 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -52.46 -26.66 13.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 73.35 110.909 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -50.59 -47.76 57.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.859 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -61.48 -30.47 70.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 75.14 110.899 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -78.43 -33.19 48.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 72.41 110.882 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -82.15 -22.65 36.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.883 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.406 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -89.59 -22.38 22.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 73.0 110.931 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 tp -80.64 -31.5 36.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 65.03 110.927 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -79.99 -24.7 40.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.932 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.71 -31.98 15.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 60.3 111.06 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.04 -21.88 56.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 42.44 111.117 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -67.25 -36.58 81.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 73.11 110.858 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 4.14 . . . . . . . . . . 0 0 . 1 stop_ save_